N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dichloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dichloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dichloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V027-8462 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dichloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 604.49 |
| Molecular Formula: | C31 H27 Cl2 N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1[Cl])[Cl])=O)=O)c1ccc(c2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9568 |
| logD: | 4.9531 |
| logSw: | -5.1596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.881 |
| InChI Key: | IDOJFOFSJCTTPF-UHFFFAOYSA-N |