N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)cyclobutanecarboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)cyclobutanecarboxamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V029-5369 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)cyclobutanecarboxamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C25 H30 F N5 O2 |
| Salt: | not_available |
| Smiles: | C=CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8222 |
| logD: | 2.8204 |
| logSw: | -2.9033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.87 |
| InChI Key: | ZSHXWNWSTFKKTN-UHFFFAOYSA-N |