N-benzyl-4-(2,3-dimethylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(2,3-dimethylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-4-(2,3-dimethylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0285 |
| Compound Name: | N-benzyl-4-(2,3-dimethylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C28 H27 N3 O2 S |
| Smiles: | Cc1cccc(c1C)N1C(C(NCc2ccccc2)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9751 |
| logD: | 4.975 |
| logSw: | -4.778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.688 |
| InChI Key: | QKWSTEXZTVVVGI-SANMLTNESA-N |