prop-2-en-1-yl 2-(butylsulfanyl)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-(butylsulfanyl)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-(butylsulfanyl)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0898 |
| Compound Name: | prop-2-en-1-yl 2-(butylsulfanyl)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | CCCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OCC=C)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1424 |
| logD: | 2.4785 |
| logSw: | -4.2574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.276 |
| InChI Key: | BPYCPIJCFXIPSM-GOSISDBHSA-N |