N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-cyclopropyl-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-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-5674 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 534.01 |
| Molecular Formula: | C28 H28 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccccc2[Cl])nn1)C(CN(C1CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9275 |
| logD: | 3.9214 |
| logSw: | -4.341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.788 |
| InChI Key: | YIIRFXKSCJBAAU-UHFFFAOYSA-N |