N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methylbenzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methylbenzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V001-0996 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methylbenzamide |
| Molecular Weight: | 579.66 |
| Molecular Formula: | C33 H33 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(N(CC(N1CCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2567 |
| logD: | 4.1448 |
| logSw: | -4.3221 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.425 |
| InChI Key: | AVAOCWVNBCZZTI-UHFFFAOYSA-N |