N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-N'-(2,4-dimethoxyphenyl)urea
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-N'-(2,4-dimethoxyphenyl)urea
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-N'-(2,4-dimethoxyphenyl)urea
Compound characteristics
| Compound ID: | D451-1126 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-N'-(2,4-dimethoxyphenyl)urea |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | COc1ccc(c(c1)OC)NC(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8608 |
| logD: | 5.8608 |
| logSw: | -5.4767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.828 |
| InChI Key: | OPVQLBDAFIIRKF-UHFFFAOYSA-N |