N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V023-6793 |
| Compound Name: | N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C29 H33 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1614 |
| logD: | 3.1567 |
| logSw: | -3.3728 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.521 |
| InChI Key: | KVPIFBNVAGTUCC-UHFFFAOYSA-N |