N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclopropanecarboxamide
Chemical Structure Depiction of
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclopropanecarboxamide
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclopropanecarboxamide
Compound characteristics
| Compound ID: | L150-0291 |
| Compound Name: | N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclopropanecarboxamide |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C20 H19 Cl N4 O S |
| Smiles: | C(Cn1c(nc(n1)[Cl])Sc1ccccc1NC(C1CC1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5673 |
| logD: | 4.5673 |
| logSw: | -4.6836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.964 |
| InChI Key: | NIBVMSNRVWZIIP-UHFFFAOYSA-N |