N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(2-methylpropyl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(2-methylpropyl)urea
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(2-methylpropyl)urea
Compound characteristics
| Compound ID: | V011-5009 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(2-methylpropyl)urea |
| Molecular Weight: | 535.09 |
| Molecular Formula: | C29 H35 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2623 |
| logD: | 5.2562 |
| logSw: | -5.508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.189 |
| InChI Key: | QEJPSRLILSNGNT-UHFFFAOYSA-N |