6-benzyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-benzyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0139 |
| Compound Name: | 6-benzyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C23 H25 N3 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(C3CN(CCC=3N=2)Cc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3628 |
| logD: | 3.9614 |
| logSw: | -4.1257 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.946 |
| InChI Key: | QVPIUCYXYQAQNV-UHFFFAOYSA-N |