pentyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
pentyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
pentyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3807-1184 |
| Compound Name: | pentyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C25 H30 N2 O4 S2 |
| Smiles: | CCCCCOC(CSC1=Nc2c(C(N1c1ccc(cc1)OC)=O)c1CCCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.134 |
| logD: | 6.134 |
| logSw: | -5.2892 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.582 |
| InChI Key: | DMXSJHPBUBSLSH-UHFFFAOYSA-N |