N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V027-5326 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C31 H36 F N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCCN(CC1)C(CN(Cc1ccc(cc1)F)C(C1CCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.15 |
| logD: | 3.037 |
| logSw: | -2.996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.881 |
| InChI Key: | MCQJBGKCNHYGJH-UHFFFAOYSA-N |