N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V029-9982 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C26 H36 F N5 O2 |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3539 |
| logD: | 4.352 |
| logSw: | -4.0091 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.091 |
| InChI Key: | RZUSCTZZELKALN-UHFFFAOYSA-N |