N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(4-chlorophenyl)urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(4-chlorophenyl)urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(4-chlorophenyl)urea
Compound characteristics
| Compound ID: | E006-0595 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(4-chlorophenyl)urea |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C27 H20 Cl N3 O2 S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4832 |
| logD: | 7.4832 |
| logSw: | -6.5374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.704 |
| InChI Key: | RSEHZWUSTVEVKG-UHFFFAOYSA-N |