N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(propan-2-yl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(propan-2-yl)urea
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V008-5697 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(propan-2-yl)urea |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C28 H33 F N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5863 |
| logD: | 4.5845 |
| logSw: | -4.2238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.933 |
| InChI Key: | DHIWSJDJESXRLE-UHFFFAOYSA-N |