methyl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
methyl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0702 |
| Compound Name: | methyl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CCCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OC)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.449 |
| logD: | 0.5318 |
| logSw: | -2.669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.657 |
| InChI Key: | ACIWYLBUAQPHHI-CQSZACIVSA-N |