N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-N'-(propan-2-yl)urea
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V026-4753 |
| Compound Name: | N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C27 H40 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1622 |
| logD: | 4.1584 |
| logSw: | -4.0411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.279 |
| InChI Key: | FVPJABBCAAKRFT-UHFFFAOYSA-N |