N-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-[3-(trifluoromethyl)phenyl]urea
N-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E002-1406 |
| Compound Name: | N-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C15 H18 F3 N5 O S |
| Smiles: | CCCCN(C)c1nnc(NC(Nc2cccc(c2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9018 |
| logD: | 4.9018 |
| logSw: | -4.5156 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.106 |
| InChI Key: | NQBIWJOKAHMMCJ-UHFFFAOYSA-N |