N-butyl-1-[4-(4-chlorobenzamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-[4-(4-chlorobenzamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-[4-(4-chlorobenzamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L442-0547 |
| Compound Name: | N-butyl-1-[4-(4-chlorobenzamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.98 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCN(CC1)C(c1ccc(cc1)NC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5845 |
| logD: | 3.5017 |
| logSw: | -4.0229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.504 |
| InChI Key: | NREXHMGDKVHMDM-UHFFFAOYSA-N |