methyl 4-(1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
Chemical Structure Depiction of
methyl 4-(1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
methyl 4-(1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
Compound characteristics
| Compound ID: | D271-0539 |
| Compound Name: | methyl 4-(1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1cccc(CSC2=NC(C3C(CC(NC=3N2C)=O)c2ccc(cc2)C(=O)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4967 |
| logD: | 3.3967 |
| logSw: | -3.8186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.256 |
| InChI Key: | CZFSCXVRJAGKGU-SFHVURJKSA-N |