N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)propanamide
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)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)propanamide
Compound characteristics
| Compound ID: | V023-5847 |
| 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)propanamide |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C28 H30 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCC(N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6942 |
| logD: | 3.6881 |
| logSw: | -3.9897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.956 |
| InChI Key: | XLZYGEWGIHLJBJ-UHFFFAOYSA-N |