N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-5635 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 550.06 |
| Molecular Formula: | C29 H32 Cl N5 O4 |
| Smiles: | CC(C)CN(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2793 |
| logD: | 4.2732 |
| logSw: | -4.3986 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.484 |
| InChI Key: | XLMBVZWCJBWJCP-UHFFFAOYSA-N |