N-benzyl-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0254 |
| Compound Name: | N-benzyl-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C27 H25 N3 O2 S2 |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(C(CS2)=O)c2cccc(c2)SC)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4374 |
| logD: | 4.4374 |
| logSw: | -4.4071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | CXFAZQNUQZSJMW-VWLOTQADSA-N |