N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea
Compound characteristics
| Compound ID: | G851-0071 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)NC(Nc1cccc(c1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5563 |
| logD: | 5.5562 |
| logSw: | -5.4204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.083 |
| InChI Key: | SLPPOYALACSEBK-UHFFFAOYSA-N |