N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G943-0214 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)NC(Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7819 |
| logD: | 4.7819 |
| logSw: | -4.5113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.656 |
| InChI Key: | XNSISGBUKLRJBO-UHFFFAOYSA-N |