prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(thiophen-2-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-(thiophen-2-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-(thiophen-2-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0879 |
| Compound Name: | prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(thiophen-2-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | CC(C)CSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OCC=C)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.434 |
| logD: | 1.6204 |
| logSw: | -3.6905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.121 |
| InChI Key: | ILLXCCMSWXWLFJ-HNNXBMFYSA-N |