N-(2-chloro-4-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(2-chloro-4-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0408 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 437.95 |
| Molecular Formula: | C23 H20 Cl N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(C)cc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3112 |
| logD: | 6.3111 |
| logSw: | -5.9614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.002 |
| InChI Key: | NHDUFASWUNZAEM-UHFFFAOYSA-N |