N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-5717 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 522 |
| Molecular Formula: | C27 H28 Cl N5 O4 |
| Smiles: | CCN(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3837 |
| logD: | 3.3776 |
| logSw: | -3.8341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.208 |
| InChI Key: | CJFNRJQRXAALEN-UHFFFAOYSA-N |