4-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[2-(4-chlorophenyl)ethyl]-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: | G202-0138 |
| Compound Name: | 4-[2-(4-chlorophenyl)ethyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 484.06 |
| Molecular Formula: | C26 H30 Cl N3 O2 S |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1CCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4046 |
| logD: | 5.4046 |
| logSw: | -5.963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.692 |
| InChI Key: | JJNOOPDDZJKPDC-XMMPIXPASA-N |