N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
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)-N'-(propan-2-yl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V001-1020 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 546.63 |
| Molecular Formula: | C29 H34 N6 O5 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC(N1CCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4825 |
| logD: | 3.3707 |
| logSw: | -3.7576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.814 |
| InChI Key: | UVCDMGKESHRKPA-UHFFFAOYSA-N |