2-[1-(4-chlorobenzene-1-sulfonyl)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-(4-chlorobenzene-1-sulfonyl)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-(4-chlorobenzene-1-sulfonyl)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: | Y501-0750 |
| Compound Name: | 2-[1-(4-chlorobenzene-1-sulfonyl)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: | 549.02 |
| Molecular Formula: | C23 H19 Cl F2 N6 O2 S2 |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(C4CCCN(C4)S(c4ccc(cc4)[Cl])(=O)=O)nn3cn1)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.848 |
| logD: | 4.8455 |
| logSw: | -4.9891 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.865 |
| InChI Key: | GKZMPLYOLOQGNX-ZDUSSCGKSA-N |