N-benzyl-4-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-4-[(2-chlorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0262 |
| Compound Name: | N-benzyl-4-[(2-chlorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C27 H24 Cl N3 O2 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(Cc3ccccc3[Cl])C(CS2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8929 |
| logD: | 4.8929 |
| logSw: | -4.8193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.601 |
| InChI Key: | SMCZHQFTZWOOQN-RUZDIDTESA-N |