prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0882 |
| Compound Name: | prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CC(C)CSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OCC=C)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.571 |
| logD: | 0.9071 |
| logSw: | -2.7905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.531 |
| InChI Key: | GAJUTIVDBCBMGA-MRXNPFEDSA-N |