N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-N'-[4-(trifluoromethyl)phenyl]urea
N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | M072-0433 |
| Compound Name: | N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C18 H16 F3 N3 O3 S2 |
| Smiles: | CC(C)S(c1nc2ccc(cc2s1)NC(Nc1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.273 |
| logD: | 5.273 |
| logSw: | -5.2801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.809 |
| InChI Key: | VALYAISWJHZYQI-UHFFFAOYSA-N |