9-(difluoromethyl)-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-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-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-1793 |
| Compound Name: | 9-(difluoromethyl)-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-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: | C(Cn1ccc(n1)[N+]([O-])=O)c1nc2c3c(c4c(cc(C(F)F)nc4s3)c3ccccc3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7701 |
| logD: | 3.7669 |
| logSw: | -4.2544 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.423 |
| InChI Key: | NKGVCRQDVBFYST-UHFFFAOYSA-N |