3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-5916 |
| Compound Name: | 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C18 H17 N3 O S |
| Smiles: | C1CCc2c(C1)cc1C(N(Cc3ccccc3)C(=Nc1n2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9987 |
| logD: | 0.0506 |
| logSw: | -4.3095 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.162 |
| InChI Key: | NZVRQKBCEXCWOL-UHFFFAOYSA-N |