prop-2-en-1-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0838 |
| Compound Name: | prop-2-en-1-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OCC=C)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4581 |
| logD: | 1.7942 |
| logSw: | -3.6533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.276 |
| InChI Key: | KSHIHTXYMWKRQX-QGZVFWFLSA-N |