benzyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
benzyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C610-0514 |
| Compound Name: | benzyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | CN1C(c2c(nc(c3cccs3)nc2SCC(=O)OCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4232 |
| logD: | 4.4232 |
| logSw: | -4.7423 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.337 |
| InChI Key: | ALLGKQJOOGJKJA-UHFFFAOYSA-N |