4-chloro-N-{2-[(1,3-diphenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-3-nitro-N-pentylbenzamide
Chemical Structure Depiction of
4-chloro-N-{2-[(1,3-diphenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-3-nitro-N-pentylbenzamide
4-chloro-N-{2-[(1,3-diphenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-3-nitro-N-pentylbenzamide
Compound characteristics
| Compound ID: | V019-0782 |
| Compound Name: | 4-chloro-N-{2-[(1,3-diphenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-3-nitro-N-pentylbenzamide |
| Molecular Weight: | 546.03 |
| Molecular Formula: | C29 H28 Cl N5 O4 |
| Smiles: | CCCCCN(CC(Nc1cc(c2ccccc2)nn1c1ccccc1)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4601 |
| logD: | 6.4601 |
| logSw: | -6.177 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.821 |
| InChI Key: | FJGOEZYDMITWHM-UHFFFAOYSA-N |