3,7-bis{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Chemical Structure Depiction of
3,7-bis{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
3,7-bis{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Compound characteristics
| Compound ID: | 8016-3276 |
| Compound Name: | 3,7-bis{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine |
| Molecular Weight: | 588.69 |
| Molecular Formula: | C27 H20 N6 O4 S3 |
| Smiles: | C1Cc2c3c4nnc(n4c4nnc(n4c3sc2C1)SCc1ccc2c(c1)OCO2)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.5827 |
| logD: | 5.5826 |
| logSw: | -6.1358 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.441 |
| InChI Key: | VXFGZKQSJRTDIP-UHFFFAOYSA-N |