N-(3-chloro-4-methoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(3-chloro-4-methoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0459 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0971 |
| logD: | 6.097 |
| logSw: | -5.9381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.33 |
| InChI Key: | NRIMZZRCYLVLLF-UHFFFAOYSA-N |