1-methyl-5-{2-[(4-methylphenyl)methoxy]phenyl}-2-[(prop-2-en-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
1-methyl-5-{2-[(4-methylphenyl)methoxy]phenyl}-2-[(prop-2-en-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
1-methyl-5-{2-[(4-methylphenyl)methoxy]phenyl}-2-[(prop-2-en-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
Compound ID: | D392-0917 |
Compound Name: | 1-methyl-5-{2-[(4-methylphenyl)methoxy]phenyl}-2-[(prop-2-en-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
Molecular Weight: | 447.56 |
Molecular Formula: | C25 H25 N3 O3 S |
Smiles: | Cc1ccc(COc2ccccc2C2CC(NC3=C2C(N=C(N3C)SCC=C)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2299 |
logD: | 4.1299 |
logSw: | -4.4787 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.668 |
InChI Key: | INFSWJZHMNKWPT-IBGZPJMESA-N |