3-(4-chlorophenyl)-2-ethyl-7-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-ethyl-7-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
3-(4-chlorophenyl)-2-ethyl-7-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1452 |
| Compound Name: | 3-(4-chlorophenyl)-2-ethyl-7-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one |
| Molecular Weight: | 437.91 |
| Molecular Formula: | C20 H16 Cl N7 O S |
| Smiles: | CCc1c(c2ccc(cc2)[Cl])c2N=CC3=C(C=CN(C3=O)c3nnc([nH]3)SC)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6882 |
| logD: | 2.2689 |
| logSw: | -3.8394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.953 |
| InChI Key: | PBPUNFAFFUCLJL-UHFFFAOYSA-N |