methyl 7-methyl-5-(2-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-methyl-5-(2-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
methyl 7-methyl-5-(2-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0670 |
| Compound Name: | methyl 7-methyl-5-(2-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CC(C)CSC1NC(C2C(C(=C(C)NC=2N=1)C(=O)OC)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8835 |
| logD: | 1.9663 |
| logSw: | -4.0277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.229 |
| InChI Key: | YOKCBWRJRRCNFC-MRXNPFEDSA-N |