6-propyl-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-propyl-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-propyl-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0096 |
| Compound Name: | 6-propyl-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 357.52 |
| Molecular Formula: | C20 H27 N3 O S |
| Smiles: | CCCN1CCC2=C(C1)C(NC(=N2)SCc1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0687 |
| logD: | 3.6672 |
| logSw: | -3.9033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.196 |
| InChI Key: | ZYVVESYXEQBIAU-UHFFFAOYSA-N |