N-tert-butyl-4-[4-(4-chlorobenzamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[4-(4-chlorobenzamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[4-(4-chlorobenzamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V012-8062 |
| Compound Name: | N-tert-butyl-4-[4-(4-chlorobenzamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 540.11 |
| Molecular Formula: | C29 H38 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(N1CCCCC1)=O)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0603 |
| logD: | 5.0456 |
| logSw: | -5.0559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.155 |
| InChI Key: | BBDKGCDISZBQBY-UHFFFAOYSA-N |