10-[(2,5-dimethylphenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-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-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1049 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 551.71 |
| Molecular Formula: | C33 H33 N3 O3 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5479 |
| logD: | 5.5471 |
| logSw: | -5.3349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | DHVOIJYIEPJHJA-UHFFFAOYSA-N |