N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-N'-(propan-2-yl)urea
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V028-0646 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-N'-(propan-2-yl)urea |
| Molecular Weight: | 494.64 |
| Molecular Formula: | C27 H38 N6 O3 |
| Smiles: | CC(C)NC(N(CC1CCCO1)CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0842 |
| logD: | 3.051 |
| logSw: | -3.2067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.14 |
| InChI Key: | KFXBRPFKHQPUEE-HSZRJFAPSA-N |