tert-butyl {[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-4925 |
| Compound Name: | tert-butyl {[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C20 H21 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2cccnc2)nnc1SCC(=O)OC(C)(C)C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5003 |
| logD: | 4.4961 |
| logSw: | -4.6787 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.469 |
| InChI Key: | QTVUQVBAGAITRN-UHFFFAOYSA-N |