9-(difluoromethyl)-7-methyl-2-[1-(3-nitrobenzene-1-sulfonyl)piperidin-4-yl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-(difluoromethyl)-7-methyl-2-[1-(3-nitrobenzene-1-sulfonyl)piperidin-4-yl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-7-methyl-2-[1-(3-nitrobenzene-1-sulfonyl)piperidin-4-yl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0746 |
| Compound Name: | 9-(difluoromethyl)-7-methyl-2-[1-(3-nitrobenzene-1-sulfonyl)piperidin-4-yl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 559.57 |
| Molecular Formula: | C23 H19 F2 N7 O4 S2 |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(C4CCN(CC4)S(c4cccc(c4)[N+]([O-])=O)(=O)=O)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2513 |
| logD: | 4.2488 |
| logSw: | -4.4965 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.313 |
| InChI Key: | JUTUNBDVBSOJDZ-UHFFFAOYSA-N |