methyl 2-{3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y503-1954 |
| Compound Name: | methyl 2-{3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 483.89 |
| Molecular Formula: | C20 H14 Cl N7 O4 S |
| Smiles: | Cc1c2c3nc(c4cccc(Cn5cc(c(n5)[N+]([O-])=O)[Cl])c4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7306 |
| logD: | 3.7265 |
| logSw: | -4.1109 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 99.889 |
| InChI Key: | BHLUGUNEZAKEGT-UHFFFAOYSA-N |