Benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate · CAS 66510-99-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- CAS
- 66510-99-4
- CID
- 12856850
- IUPAC 名称
- benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- CAS
- 66510-99-4
- CID
- 12856850
- IUPAC 名称
- benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
分子属性
- 分子式
- C24H24N6O5S
- 分子量
- 508.6 g/mol
- 精确质量
- 508.15288906 Da
- 单同位素质量
- 508.15288906 Da
- XLogP
- 1.1
- 极性表面积
- 160 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 9
- 重原子数
- 36
- 净电荷
- 0
- 结构复杂度
- 846
结构标识
- InChIKey
- LHJIUEGFICMIOO-UHFFFAOYSA-N
- SMILES
- CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)OC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
- InChI
- InChI=1S/C24H24N6O5S/c1-29-23(26-27-28-29)36-14-17-13-34-22-24(25,33-2)21(32)30(22)18(17)20(31)35-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3