2-(4-methoxyphenyl)-7-propanoyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-7-propanoyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
2-(4-methoxyphenyl)-7-propanoyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-2696 |
| Compound Name: | 2-(4-methoxyphenyl)-7-propanoyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | CCC(N1CCC2=C(C1)NC(c1ccc(cc1)OC)=NC2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5005 |
| logD: | -0.3495 |
| logSw: | -2.2802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.539 |
| InChI Key: | XHWWPJUHYUUISC-UHFFFAOYSA-N |