2-[1-(benzenesulfonyl)piperidin-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-(benzenesulfonyl)piperidin-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-(benzenesulfonyl)piperidin-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0745 |
| Compound Name: | 2-[1-(benzenesulfonyl)piperidin-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 514.57 |
| Molecular Formula: | C23 H20 F2 N6 O2 S2 |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(C4CCCN(C4)S(c4ccccc4)(=O)=O)nn3cn1)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0682 |
| logD: | 4.0657 |
| logSw: | -4.2629 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.865 |
| InChI Key: | VVFWILWMFPFCEG-AWEZNQCLSA-N |