N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V005-5178 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H37 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c(cc(C(C)(C)C)n1)NC(CN(CCCOC)C(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7992 |
| logD: | 5.7989 |
| logSw: | -5.3506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.134 |
| InChI Key: | NJLLPIMHRVNGFZ-UHFFFAOYSA-N |