ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0818 |
| Compound Name: | ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CCOC(C1C(C2=C(NC=1C)N=C(NC2=O)SCC=C)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2788 |
| logD: | 1.6148 |
| logSw: | -3.3509 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.982 |
| InChI Key: | AZDKDAYYLKIPII-MRXNPFEDSA-N |