7-(4-ethylbenzene-1-sulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(4-ethylbenzene-1-sulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
7-(4-ethylbenzene-1-sulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-1261 |
| Compound Name: | 7-(4-ethylbenzene-1-sulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC2=C(C1)NC(c1ccccc1)=NC2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4072 |
| logD: | 0.535 |
| logSw: | -3.6743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.314 |
| InChI Key: | ZGAUVEUXWMXZBH-UHFFFAOYSA-N |