prop-2-en-1-yl 7-methyl-4-oxo-5-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 7-methyl-4-oxo-5-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-methyl-4-oxo-5-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0916 |
| Compound Name: | prop-2-en-1-yl 7-methyl-4-oxo-5-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)NC2=C1C(NC(=N2)SCC=C)=O)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5306 |
| logD: | 3.1166 |
| logSw: | -4.2869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.103 |
| InChI Key: | IIXFFXBUUKOSMD-LJQANCHMSA-N |