2-(2-chlorophenyl)-6-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-6-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
2-(2-chlorophenyl)-6-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2209 |
| Compound Name: | 2-(2-chlorophenyl)-6-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 529 |
| Molecular Formula: | C28 H25 Cl N6 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(CCCC(N2CCC3=C(C2)N=C2C=C(c4ccccc4[Cl])NN2C3=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.3314 |
| logD: | 4.3305 |
| logSw: | -4.4634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.609 |
| InChI Key: | XYCCAZDUEWMOJH-UHFFFAOYSA-N |