6-[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
6-[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
6-[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2325 |
| Compound Name: | 6-[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-4-carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 588.64 |
| Molecular Formula: | C29 H28 N6 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)C(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7691 |
| logD: | 1.769 |
| logSw: | -2.7766 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.37 |
| InChI Key: | VWUATTFKMDFKSB-UHFFFAOYSA-N |