N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V009-4085 |
| Compound Name: | N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C29 H38 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(N1CCCCC1)=O)N1CCCN(CC1)C(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7737 |
| logD: | 4.7697 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.098 |
| InChI Key: | AIFJZNMVQOSENF-UHFFFAOYSA-N |