N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea
Compound characteristics
| Compound ID: | V015-0605 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)urea |
| Molecular Weight: | 535.09 |
| Molecular Formula: | C29 H35 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2763 |
| logD: | 5.2702 |
| logSw: | -5.6389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.517 |
| InChI Key: | JDEZPWKWMWMZPA-QFIPXVFZSA-N |