N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 6049-0384 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 507.5 |
| Molecular Formula: | C25 H25 N5 O7 |
| Smiles: | Cn1c(C(Nc2cc(c(cc2Cc2c3cc(c(cc3ccn2)OC)OC)OC)OC)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5097 |
| logD: | 2.333 |
| logSw: | -2.9683 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.52 |
| InChI Key: | UQRMWKYQCRDEBZ-UHFFFAOYSA-N |