7-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
7-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-0971 |
| Compound Name: | 7-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | C1CN(CC2=C1C(N=C(c1ccccc1)N2)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9511 |
| logD: | 0.0284 |
| logSw: | -2.8346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.367 |
| InChI Key: | UBNKANATWNVMEH-UHFFFAOYSA-N |