2-(2-chlorophenyl)-6-{4-[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | S021-2249 |
| Compound Name: | 2-(2-chlorophenyl)-6-{4-[3-(3,4-dimethoxyphenyl)-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: | 575.02 |
| Molecular Formula: | C29 H27 Cl N6 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(CCCC(N2CCC3=C(C2)N=C2C=C(c4ccccc4[Cl])NN2C3=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5305 |
| logD: | 3.5296 |
| logSw: | -3.9808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.87 |
| InChI Key: | NITCQBPSBZLASQ-UHFFFAOYSA-N |