N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitro-N-(propan-2-yl)benzamide
N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V009-2436 |
| Compound Name: | N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C29 H29 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(cc1)OC)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8219 |
| logD: | 4.8218 |
| logSw: | -4.6884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.086 |
| InChI Key: | OTGRAQWPFZWITK-UHFFFAOYSA-N |