benzyl [5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamate
Chemical Structure Depiction of
benzyl [5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamate
benzyl [5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamate
Compound characteristics
| Compound ID: | 3329-0998 |
| Compound Name: | benzyl [5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamate |
| Molecular Weight: | 502.92 |
| Molecular Formula: | C19 H14 Cl F3 N4 O3 S2 |
| Smiles: | C(c1ccccc1)OC(Nc1nnc(SCC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6713 |
| logD: | 5.6386 |
| logSw: | -6.0527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.872 |
| InChI Key: | CUCJISCQFBPWDT-UHFFFAOYSA-N |