4-[(4-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(4-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0155 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 470.03 |
| Molecular Formula: | C25 H28 Cl N3 O2 S |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9356 |
| logD: | 4.9356 |
| logSw: | -4.8579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.714 |
| InChI Key: | CYMWWCCFEFIKEE-HSZRJFAPSA-N |