methyl 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
methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
methyl 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: | C117-0638 |
| Compound Name: | methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OC)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0132 |
| logD: | 1.0961 |
| logSw: | -3.3292 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.402 |
| InChI Key: | UAADMPKYTPZGTJ-OAHLLOKOSA-N |