ethyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G721-0171 |
| Compound Name: | ethyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H31 N5 O5 S |
| Smiles: | CCCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(N1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7839 |
| logD: | 2.7837 |
| logSw: | -2.7269 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.663 |
| InChI Key: | ZYEVGFNGYMXRSF-UHFFFAOYSA-N |