N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
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)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-5681 |
| 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)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 559.62 |
| Molecular Formula: | C30 H33 N5 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1048 |
| logD: | 3.1002 |
| logSw: | -3.2537 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.636 |
| InChI Key: | MLTMNMSUUUGCBM-UHFFFAOYSA-N |