N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E002-1309 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 385.41 |
| Molecular Formula: | C16 H18 F3 N5 O S |
| Smiles: | C1CCCN(CC1)c1nnc(NC(Nc2cccc(c2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3282 |
| logD: | 5.3281 |
| logSw: | -5.6506 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.685 |
| InChI Key: | XHHRSJZFLRIKKC-UHFFFAOYSA-N |