N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-tert-butylurea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-tert-butylurea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-tert-butylurea
Compound characteristics
| Compound ID: | V021-7111 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-tert-butylurea |
| Molecular Weight: | 606.73 |
| Molecular Formula: | C35 H38 N6 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CC(N1CCN(CC1)c1ccc(c2ccc(cc2)c2ccccc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7106 |
| logD: | 5.7104 |
| logSw: | -5.5863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.848 |
| InChI Key: | KQVYCIGWCAFXMJ-UHFFFAOYSA-N |