N-(4-methylphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Chemical Structure Depiction of
N-(4-methylphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
N-(4-methylphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Compound characteristics
| Compound ID: | D451-0997 |
| Compound Name: | N-(4-methylphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C23 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7059 |
| logD: | 6.7059 |
| logSw: | -5.5211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.769 |
| InChI Key: | BSZVODKZKASVFG-UHFFFAOYSA-N |