2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0098 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C19 H23 N3 O S |
| Smiles: | CCCN1CCC2=C(C1)C(NC(=N2)SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7426 |
| logD: | 2.3411 |
| logSw: | -2.9936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.196 |
| InChI Key: | ITWQZAUHALRWEI-UHFFFAOYSA-N |