2-(2-chlorophenyl)-6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
2-(2-chlorophenyl)-6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2190 |
| Compound Name: | 2-(2-chlorophenyl)-6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 518.96 |
| Molecular Formula: | C26 H23 Cl N6 O4 |
| Smiles: | Cc1c(Cc2c(C(N3CCC4=C(C3)N=C3C=C(c5ccccc5[Cl])NN3C4=O)=O)noc2C)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7855 |
| logD: | 2.7846 |
| logSw: | -3.69 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.792 |
| InChI Key: | ZYSGPBWQEMVOSC-UHFFFAOYSA-N |