1-(2,5-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
1-(2,5-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V018-0870 |
| Compound Name: | 1-(2,5-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 578.65 |
| Molecular Formula: | C28 H30 N6 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(NCc2cccnc2)=O)nn1c1cc(C)ccc1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4211 |
| logD: | 4.4208 |
| logSw: | -4.163 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.43 |
| InChI Key: | AWDPCWVZEKPDAQ-UHFFFAOYSA-N |