2-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Chemical Structure Depiction of
2-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
2-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Compound characteristics
| Compound ID: | V005-0689 |
| Compound Name: | 2-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C22 H21 Cl N4 O S |
| Smiles: | C=CCn1c(c2ccccc2[Cl])nnc1SCc1ccccc1C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8571 |
| logD: | 4.857 |
| logSw: | -4.9017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.689 |
| InChI Key: | ZEFSNNUXUVDEQU-UHFFFAOYSA-N |