N-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V016-7084 |
| Compound Name: | N-ethyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C28 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN(CC(N1CCCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0674 |
| logD: | 2.8974 |
| logSw: | -3.1504 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.752 |
| InChI Key: | XLAYCVKOEZYZBC-UHFFFAOYSA-N |