ethyl 4-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]benzoate
ethyl 4-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C791-0012 |
| Compound Name: | ethyl 4-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]benzoate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C23 H18 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0015 |
| logD: | 4.9975 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.02 |
| InChI Key: | NBSAFEXQXFTQRO-UHFFFAOYSA-N |