N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | 2515-5490 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C16 H12 Cl F N4 O S |
| Smiles: | C(C1=NNC(N1c1cccc(c1)[Cl])=S)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.377 |
| logD: | 1.6449 |
| logSw: | -3.8247 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | KYNXCSPDBXRGNM-UHFFFAOYSA-N |