propan-2-yl 2-(butylsulfanyl)-5-(4-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(butylsulfanyl)-5-(4-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 2-(butylsulfanyl)-5-(4-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0988 |
| Compound Name: | propan-2-yl 2-(butylsulfanyl)-5-(4-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C22 H26 F N3 O3 S |
| Smiles: | CCCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OC(C)C)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5217 |
| logD: | 2.6046 |
| logSw: | -4.2405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.488 |
| InChI Key: | YTYDCMGXYHOHSM-QGZVFWFLSA-N |