10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0145 |
| Compound Name: | 10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7643 |
| logD: | 4.7643 |
| logSw: | -4.5242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.714 |
| InChI Key: | RKVSZSIHTUHWKX-DEOSSOPVSA-N |