N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-3-methyl-N-(4-methylphenyl)butanamide
Chemical Structure Depiction of
N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-3-methyl-N-(4-methylphenyl)butanamide
N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-3-methyl-N-(4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | V021-9456 |
| Compound Name: | N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-3-methyl-N-(4-methylphenyl)butanamide |
| Molecular Weight: | 443.97 |
| Molecular Formula: | C24 H30 Cl N3 O3 |
| Smiles: | CC(C)CC(N(C1CCN(CC1)Cc1cc(ccc1[Cl])[N+]([O-])=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6381 |
| logD: | 5.5689 |
| logSw: | -5.9622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.608 |
| InChI Key: | RRGCMMCEOXZSAR-UHFFFAOYSA-N |