3-nitro-N-{[4-(propan-2-yl)phenyl]methyl}-N-(pyridin-2-yl)benzamide
Chemical Structure Depiction of
3-nitro-N-{[4-(propan-2-yl)phenyl]methyl}-N-(pyridin-2-yl)benzamide
3-nitro-N-{[4-(propan-2-yl)phenyl]methyl}-N-(pyridin-2-yl)benzamide
Compound characteristics
| Compound ID: | D341-0835 |
| Compound Name: | 3-nitro-N-{[4-(propan-2-yl)phenyl]methyl}-N-(pyridin-2-yl)benzamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | CC(C)c1ccc(CN(C(c2cccc(c2)[N+]([O-])=O)=O)c2ccccn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2913 |
| logD: | 5.2913 |
| logSw: | -5.2896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.482 |
| InChI Key: | PYYMMFAHUNCKID-UHFFFAOYSA-N |