N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
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]benzamide
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V028-0574 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 513.64 |
| Molecular Formula: | C30 H35 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC1CCCO1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3627 |
| logD: | 3.3295 |
| logSw: | -3.3109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.751 |
| InChI Key: | ORJPHNOBQYPWCR-AREMUKBSSA-N |