2-(4-methoxyphenyl)-7-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-7-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
2-(4-methoxyphenyl)-7-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-2711 |
| Compound Name: | 2-(4-methoxyphenyl)-7-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COc1ccc(cc1)C1NC2CN(CCC=2C(N=1)=O)C(c1cc2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5511 |
| logD: | 1.901 |
| logSw: | -3.8285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.734 |
| InChI Key: | XSKKFEGVTYPKCR-UHFFFAOYSA-N |