N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V004-3265 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C28 H30 F N5 O3 |
| Smiles: | COc1ccc(cc1)C(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5086 |
| logD: | 3.5067 |
| logSw: | -3.4825 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.89 |
| InChI Key: | HSJGUIIXIUSOOZ-UHFFFAOYSA-N |