1-羟基-4-[[3-甲基-1-苯基-4-[[(1- 苯基-1H-四唑-5-基)-硫代]-甲 基]-1H-吡唑-5-基]氧基]-N-(2-十四 烷氧苯基)-2-萘甲酰胺
1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide · CAS 80567-35-7
- 中文名
- 1-羟基-4-[[3-甲基-1-苯基-4-[[(1- 苯基-1H-四唑-5-基)-硫代]-甲 基]-1H-吡唑-5-基]氧基]-N-(2-十四 烷氧苯基)-2-萘甲酰胺
- 中文别名
- 暂无
- 英文名
- 1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide
- CAS
- 80567-35-7
- CID
- 13651604
- IUPAC 名称
- 1-hydroxy-4-[3-methyl-1-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrazol-5-yl]oxy-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
名称与编号
- 中文名
- 1-羟基-4-[[3-甲基-1-苯基-4-[[(1- 苯基-1H-四唑-5-基)-硫代]-甲 基]-1H-吡唑-5-基]氧基]-N-(2-十四 烷氧苯基)-2-萘甲酰胺
- 中文别名
- 暂无
- 英文名
- 1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide
- CAS
- 80567-35-7
- CID
- 13651604
- IUPAC 名称
- 1-hydroxy-4-[3-methyl-1-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrazol-5-yl]oxy-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
分子属性
- 分子式
- C49H55N7O4S
- 分子量
- 838.1 g/mol
- 精确质量
- 837.40362443 Da
- 单同位素质量
- 837.40362443 Da
- XLogP
- 14.7
- 极性表面积
- 155 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 23
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1240
结构标识
- InChIKey
- KMGTTXLBMOHSIO-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C(=NN4C5=CC=CC=C5)C)CSC6=NN=NN6C7=CC=CC=C7)O
- InChI
- InChI=1S/C49H55N7O4S/c1-3-4-5-6-7-8-9-10-11-12-13-24-33-59-44-32-23-22-31-43(44)50-47(58)41-34-45(39-29-20-21-30-40(39)46(41)57)60-48-42(36(2)52-55(48)37-25-16-14-17-26-37)35-61-49-51-53-54-56(49)38-27-18-15-19-28-38/h14-23,25-32,34,57H,3-13,24,33,35H2,1-2H3,(H,50,58)