N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V028-1950 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 529.64 |
| Molecular Formula: | C30 H35 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3883 |
| logD: | 3.2753 |
| logSw: | -3.6286 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.607 |
| InChI Key: | HGQUUHYGEUQCRN-UHFFFAOYSA-N |