N-benzyl-10-methyl-4-(3-methylbutyl)-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-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0246 |
| Compound Name: | N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CC(C)CCN1C(C(NCc2ccccc2)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3845 |
| logD: | 4.3845 |
| logSw: | -4.082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.851 |
| InChI Key: | VFKOQWMDGTXXBC-QHCPKHFHSA-N |