N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-methyl-4-nitrobenzamide
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | G943-0269 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3856 |
| logD: | 5.3855 |
| logSw: | -5.277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.569 |
| InChI Key: | ZZXAWWUSCVPDBM-UHFFFAOYSA-N |