ethyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-8581 |
| Compound Name: | ethyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6918 |
| logD: | 3.6876 |
| logSw: | -3.9897 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | WPUCZJDTLKSZCV-LBPRGKRZSA-N |