N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V028-1982 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide |
| Molecular Weight: | 515.66 |
| Molecular Formula: | C30 H37 N5 O3 |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6484 |
| logD: | 4.6446 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.89 |
| InChI Key: | SETNIGIDMYIZRY-UHFFFAOYSA-N |