7-{[3-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-{[3-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-{[3-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-2905 |
| Compound Name: | 7-{[3-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C20 H25 Cl N6 O2 |
| Smiles: | CCCN1C(N2CCN(CC2=N1)Cc1c[nH]nc1c1ccc(c(c1)[Cl])OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9583 |
| logD: | 0.2523 |
| logSw: | -3.6128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.309 |
| InChI Key: | QQVVPJCAWUEBHC-UHFFFAOYSA-N |