5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0645 |
| Compound Name: | 5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | Cc1cccc(CSC2=NC(C3C(CC(NC=3N2C)=O)c2ccc(c(c2)OC)OCC#C)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3112 |
| logD: | 3.2112 |
| logSw: | -3.6087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.217 |
| InChI Key: | VQZTWKSVPVGZAJ-IBGZPJMESA-N |