N-benzyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
Chemical Structure Depiction of
N-benzyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
N-benzyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
Compound characteristics
| Compound ID: | V024-9426 |
| Compound Name: | N-benzyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C29 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCCNC(N(CC(N1CCCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9975 |
| logD: | 3.8275 |
| logSw: | -4.0644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.896 |
| InChI Key: | BOFKJHDFQHONCW-UHFFFAOYSA-N |