2-methyl-N-{4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}propanamide
Chemical Structure Depiction of
2-methyl-N-{4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}propanamide
2-methyl-N-{4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}propanamide
Compound characteristics
| Compound ID: | V004-2641 |
| Compound Name: | 2-methyl-N-{4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}propanamide |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C29 H38 N4 O3 |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(N1CCCCC1)=O)N1CCCN(CC1)C(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2026 |
| logD: | 4.2026 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.188 |
| InChI Key: | VQIHBWJYSPPWOF-UHFFFAOYSA-N |