N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V025-9938 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide |
| Molecular Weight: | 584.07 |
| Molecular Formula: | C32 H30 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccccc2)nn1)C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6855 |
| logD: | 4.6794 |
| logSw: | -5.0656 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.212 |
| InChI Key: | DMXSYSPLITYKJM-UHFFFAOYSA-N |