N-(butan-2-yl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
N-(butan-2-yl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea
Compound characteristics
| Compound ID: | V026-0663 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-propylurea |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C26 H38 N6 O3 |
| Smiles: | CCCNC(N(CC(N1CCCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0079 |
| logD: | 3.838 |
| logSw: | -4.0453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.496 |
| InChI Key: | GSWPFZGLJXRZOA-FQEVSTJZSA-N |