methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8016-2467 |
| Compound Name: | methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C20 H18 N4 O2 S2 |
| Smiles: | COC(CSc1nnc2c3c4CCCCc4sc3N=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7993 |
| logD: | 3.799 |
| logSw: | -4.2398 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.182 |
| InChI Key: | SKNXTBQSNYZDFG-UHFFFAOYSA-N |