N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V003-4404 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C30 H36 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4152 |
| logD: | 4.3945 |
| logSw: | -4.2615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.119 |
| InChI Key: | XWVVIIHHQFYWKE-UHFFFAOYSA-N |