N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V001-1008 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 532.6 |
| Molecular Formula: | C28 H32 N6 O5 |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(N1CCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8906 |
| logD: | 2.7788 |
| logSw: | -3.3356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.465 |
| InChI Key: | UHBWRJJNUNHTRC-UHFFFAOYSA-N |