N-(2-methyl-3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-methyl-3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0045 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5358 |
| logD: | 4.4962 |
| logSw: | -4.4167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.649 |
| InChI Key: | IJVUSKZBDSCRCU-UHFFFAOYSA-N |