N-(3-methoxyphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Chemical Structure Depiction of
N-(3-methoxyphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
N-(3-methoxyphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Compound characteristics
| Compound ID: | D451-1030 |
| Compound Name: | N-(3-methoxyphenyl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | COc1cccc(c1)NC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3489 |
| logD: | 6.3489 |
| logSw: | -5.4908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.313 |
| InChI Key: | XKEDXDRTGQNBMB-UHFFFAOYSA-N |