N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V023-5364 |
| Compound Name: | N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C28 H28 F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccc(cc2)F)nn1)C(CN(C1CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7017 |
| logD: | 3.6998 |
| logSw: | -3.9908 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.788 |
| InChI Key: | BFYUSXWXDJIIQE-UHFFFAOYSA-N |