2-({5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopropylacetamide
Chemical Structure Depiction of
2-({5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopropylacetamide
2-({5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | Y205-8777 |
| Compound Name: | 2-({5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopropylacetamide |
| Molecular Weight: | 420.96 |
| Molecular Formula: | C20 H25 Cl N4 O2 S |
| Smiles: | CC(c1nnc(n1CC=C)SCC(NC1CC1)=O)Oc1cc(C)c(c(C)c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3863 |
| logD: | 4.3863 |
| logSw: | -4.6796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.536 |
| InChI Key: | VPQYMABUSWYDOF-AWEZNQCLSA-N |