N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclopropanecarboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclopropanecarboxamide
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclopropanecarboxamide
Compound characteristics
| Compound ID: | V029-9991 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclopropanecarboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H32 F N5 O2 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7569 |
| logD: | 3.755 |
| logSw: | -3.8753 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.87 |
| InChI Key: | MCQPOHPCTVOFNU-UHFFFAOYSA-N |