methyl 4-{1-methyl-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl}benzoate
Chemical Structure Depiction of
methyl 4-{1-methyl-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl}benzoate
methyl 4-{1-methyl-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl}benzoate
Compound characteristics
| Compound ID: | D271-0534 |
| Compound Name: | methyl 4-{1-methyl-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl}benzoate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)C(=O)OC)C(N=C1SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0871 |
| logD: | 1.9871 |
| logSw: | -2.8069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.527 |
| InChI Key: | HQOWVRDITYRNFD-ZDUSSCGKSA-N |