N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-5691 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C29 H33 N5 O5 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N1CCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8279 |
| logD: | 3.8256 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.675 |
| InChI Key: | YVPAISUPGXXINL-UHFFFAOYSA-N |