propan-2-yl 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
propan-2-yl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 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: | C117-1002 |
| Compound Name: | propan-2-yl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCCCSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OC(C)C)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3349 |
| logD: | 1.4178 |
| logSw: | -3.3995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.916 |
| InChI Key: | DZJLXUPNWYAGEK-MRXNPFEDSA-N |