5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0056 |
| Compound Name: | 5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(CC(NC=3N=2)=O)c2ccc(c(c2)OC)OCC#C)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.046 |
| logD: | 3.0361 |
| logSw: | -3.2652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.003 |
| InChI Key: | QYICCHVWMHFYON-GOSISDBHSA-N |