N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 8017-9809 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 497.04 |
| Molecular Formula: | C23 H21 Cl N6 O S2 |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCCC(Nc1ncc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8328 |
| logD: | 4.8285 |
| logSw: | -4.9953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.093 |
| InChI Key: | SMTCMPSEZFEJDE-UHFFFAOYSA-N |