methyl [4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl]acetate
Chemical Structure Depiction of
methyl [4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl]acetate
methyl [4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl]acetate
Compound characteristics
| Compound ID: | 8019-0663 |
| Compound Name: | methyl [4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl]acetate |
| Molecular Weight: | 376.84 |
| Molecular Formula: | C18 H21 Cl N4 O3 |
| Smiles: | COC(CN1C(C(=C(C=N1)N1CCN(CC1)Cc1ccccc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4742 |
| logD: | 1.4737 |
| logSw: | -2.3089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.798 |
| InChI Key: | DGABOWUTVDHMBL-UHFFFAOYSA-N |