N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V025-9927 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide |
| Molecular Weight: | 630.1 |
| Molecular Formula: | C33 H32 Cl N5 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0229 |
| logD: | 3.9502 |
| logSw: | -4.5314 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.142 |
| InChI Key: | ZCZRUNJXNHGPFA-UHFFFAOYSA-N |