pentyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Chemical Structure Depiction of
pentyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
pentyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4386-0230 |
| Compound Name: | pentyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate |
| Molecular Weight: | 526.68 |
| Molecular Formula: | C26 H30 N4 O4 S2 |
| Smiles: | CCCCCOC(CSc1nnc2N(C(c3c4CCCCCc4sc3n12)=O)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8899 |
| logD: | 5.8899 |
| logSw: | -5.3229 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.672 |
| InChI Key: | XZKXXWANECRXKU-UHFFFAOYSA-N |