4-[2-(4-chlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[2-(4-chlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0349 |
| Compound Name: | 4-[2-(4-chlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 534.08 |
| Molecular Formula: | C29 H28 Cl N3 O3 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3OC)=O)N(CCc3ccc(cc3)[Cl])C(CS2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3594 |
| logD: | 5.3594 |
| logSw: | -5.938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.21 |
| InChI Key: | HNFSJGDMBMLCIF-HHHXNRCGSA-N |