2-{[(3-chlorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0723 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(c(c2)OC)OCC#C)C(N=C1SCc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3201 |
| logD: | 3.22 |
| logSw: | -3.9092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.217 |
| InChI Key: | ZUSWZZYPFCOFIS-SFHVURJKSA-N |