N-benzyl-4-(4-methoxyphenyl)-6-methyl-3-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(4-methoxyphenyl)-6-methyl-3-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
N-benzyl-4-(4-methoxyphenyl)-6-methyl-3-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | C066-4805 |
| Compound Name: | N-benzyl-4-(4-methoxyphenyl)-6-methyl-3-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | Cn1c2C(C(NCc3ccccc3)=O)N(C(CSc2c2ccccc12)=O)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9318 |
| logD: | 3.9318 |
| logSw: | -4.1186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.8 |
| InChI Key: | FUGONCPXUMZMIL-VWLOTQADSA-N |