methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2170 |
| Compound Name: | methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C16 H15 N7 O4 S |
| Smiles: | Cc1c2c3nc(Cn4c(C)c(c(C)n4)[N+]([O-])=O)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6427 |
| logD: | 1.6381 |
| logSw: | -2.0222 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.617 |
| InChI Key: | OHNORPAUMIJYSO-UHFFFAOYSA-N |