N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0232 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea |
| Molecular Weight: | 493.87 |
| Molecular Formula: | C17 H11 Cl F3 N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(NC1(C(F)(F)F)Oc3ccc(cc3O1)[Cl])=O)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1645 |
| logD: | 3.5679 |
| logSw: | -4.7121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.143 |
| InChI Key: | IQERQWORVFYPQB-KRWDZBQOSA-N |