prop-2-en-1-yl 5-(3-fluorophenyl)-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-(3-fluorophenyl)-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-(3-fluorophenyl)-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0907 |
| Compound Name: | prop-2-en-1-yl 5-(3-fluorophenyl)-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | CC1=C(C(C2=C(N1)N=C(NC2=O)SCC=C)c1cccc(c1)F)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2706 |
| logD: | 1.8566 |
| logSw: | -3.4138 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.103 |
| InChI Key: | JOBGWLSZEFVKFU-MRXNPFEDSA-N |