N-[(5-chloro-1H-indol-3-yl)methyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(5-chloro-1H-indol-3-yl)methyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[(5-chloro-1H-indol-3-yl)methyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7814 |
| Compound Name: | N-[(5-chloro-1H-indol-3-yl)methyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(NCc2c[nH]c3ccc(cc23)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5717 |
| logD: | 3.5714 |
| logSw: | -4.1525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.584 |
| InChI Key: | PRVQUCKHKVASKZ-UHFFFAOYSA-N |