N-(2-benzoylphenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2-benzoylphenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-benzoylphenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0363 |
| Compound Name: | N-(2-benzoylphenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 600.69 |
| Molecular Formula: | C36 H28 N2 O5 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(Nc2ccccc2C(c2ccccc2)=O)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6792 |
| logD: | 6.6774 |
| logSw: | -5.558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.241 |
| InChI Key: | ZMHGBKKVLJNQME-UHFFFAOYSA-N |