N-benzyl-4-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-4-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0228 |
| Compound Name: | N-benzyl-4-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 536.05 |
| Molecular Formula: | C28 H26 Cl N3 O4 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(C(CS2)=O)c2cc(c(cc2OC)OC)[Cl])c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7565 |
| logD: | 4.7565 |
| logSw: | -4.9719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.949 |
| InChI Key: | CQANMWHRLOYRKD-AREMUKBSSA-N |