2-phenyl-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-phenyl-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
2-phenyl-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-1039 |
| Compound Name: | 2-phenyl-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | C1CN(CC2=C1C(N=C(c1ccccc1)N2)=O)C(c1cc(c2cccs2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7512 |
| logD: | 0.802 |
| logSw: | -3.3092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.76 |
| InChI Key: | XDYRFUOKLZPRGB-UHFFFAOYSA-N |