propan-2-yl 7-methyl-4-oxo-5-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 7-methyl-4-oxo-5-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 7-methyl-4-oxo-5-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-1003 |
| Compound Name: | propan-2-yl 7-methyl-4-oxo-5-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(C)OC(C1C(C2=C(NC=1C)N=C(NC2=O)SCC=C)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6377 |
| logD: | 1.9738 |
| logSw: | -3.8857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.488 |
| InChI Key: | VQTUIHAFJXFTBJ-MRXNPFEDSA-N |