9-(difluoromethyl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-(difluoromethyl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-1795 |
| Compound Name: | 9-(difluoromethyl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 492.47 |
| Molecular Formula: | C22 H14 F2 N8 O2 S |
| Smiles: | Cc1c(cn(Cc2nc3c4c(c5c(cc(C(F)F)nc5s4)c4ccccc4)ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8109 |
| logD: | 3.8054 |
| logSw: | -4.1814 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.15 |
| InChI Key: | FWAFXPVBGMODTL-UHFFFAOYSA-N |