N-[4-(methylsulfanyl)phenyl]-N'-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-[4-(methylsulfanyl)phenyl]-N'-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-[4-(methylsulfanyl)phenyl]-N'-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0526 |
| Compound Name: | N-[4-(methylsulfanyl)phenyl]-N'-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C18 H19 N3 O3 S3 |
| Smiles: | CC(C)S(c1nc2ccc(cc2s1)NC(Nc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1196 |
| logD: | 5.1196 |
| logSw: | -4.9976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.809 |
| InChI Key: | UMSOWNXKWDANNI-UHFFFAOYSA-N |