tert-butyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-1058 |
| Compound Name: | tert-butyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0515 |
| logD: | 4.0473 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.77 |
| InChI Key: | NDVYTXFNNONPLT-UHFFFAOYSA-N |