10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0984 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C31 H28 N2 O3 S |
| Smiles: | Cc1ccc(CNC(c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(c2ccccc2S3=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5745 |
| logD: | 5.5745 |
| logSw: | -5.3457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.198 |
| InChI Key: | QBFDPGJSRTUWPR-UHFFFAOYSA-N |