1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0642 |
| Compound Name: | 1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | Cc1cccc(CSC2=NC(C3C(CC(NC=3N2C)=O)c2ccc(cc2)OCC#C)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4853 |
| logD: | 3.3852 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.5 |
| InChI Key: | RALHMRCHRJEIBM-FQEVSTJZSA-N |