9-(difluoromethyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-(difluoromethyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-6665 |
| Compound Name: | 9-(difluoromethyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 444.42 |
| Molecular Formula: | C18 H14 F2 N8 O2 S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(Cn4c(C)c(c(C)n4)[N+]([O-])=O)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.6644 |
| logD: | 2.6553 |
| logSw: | -2.878 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.544 |
| InChI Key: | WQTUJCVJRMJOFL-UHFFFAOYSA-N |