propan-2-yl 7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-1022 |
| Compound Name: | propan-2-yl 7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CC(C)OC(C1C(C2=C(NC=1C)N=C(NC2=O)SCC=C)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4757 |
| logD: | 0.8118 |
| logSw: | -2.6367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.916 |
| InChI Key: | JSSYIRAHCHOTMR-OAHLLOKOSA-N |