N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V021-7980 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C28 H30 F N5 O5 |
| Salt: | not_available |
| Smiles: | COCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7333 |
| logD: | 2.7315 |
| logSw: | -2.9896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.804 |
| InChI Key: | PPOAEBFEKIGUAL-UHFFFAOYSA-N |