N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V023-5823 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide |
| Molecular Weight: | 562.07 |
| Molecular Formula: | C30 H32 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1CC(C1)C(N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7465 |
| logD: | 3.7404 |
| logSw: | -4.1775 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.735 |
| InChI Key: | BBRCNHKYUWHATL-UHFFFAOYSA-N |