N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methylbutanamide
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)-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V001-0948 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methylbutanamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C30 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8586 |
| logD: | 3.7467 |
| logSw: | -4.1038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.169 |
| InChI Key: | LYBSPDQZQLKJSM-UHFFFAOYSA-N |