3-(2-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
3-(2-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Compound characteristics
| Compound ID: | 5218-2465 |
| Compound Name: | 3-(2-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C22 H23 N3 O S |
| Smiles: | CC(=C)CSC1=Nc2c(cc3CCCCc3n2)C(N1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4586 |
| logD: | 5.4401 |
| logSw: | -5.3645 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.743 |
| InChI Key: | GMKRVTPCOBMFGP-UHFFFAOYSA-N |