10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1380 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C31 H28 N2 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(c2ccccc2S3(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7041 |
| logD: | 5.7041 |
| logSw: | -5.3648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.794 |
| InChI Key: | XCVXVLBAXVHRQT-UHFFFAOYSA-N |