N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(4-nitrophenyl)urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(4-nitrophenyl)urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(4-nitrophenyl)urea
Compound characteristics
| Compound ID: | G851-0068 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(4-nitrophenyl)urea |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)NC(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5435 |
| logD: | 5.5434 |
| logSw: | -5.3641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.081 |
| InChI Key: | XLZYUFCKXFAEPH-UHFFFAOYSA-N |