N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-phenylacetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-phenylacetamide
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-phenylacetamide
Compound characteristics
| Compound ID: | V023-5367 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-phenylacetamide |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C33 H34 F N5 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1ccc(nn1)N1CCCN(CC1)C(CN(Cc1ccc(cc1)F)C(Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.603 |
| logD: | 4.433 |
| logSw: | -4.4899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.113 |
| InChI Key: | HOFFULHNQIXYGZ-UHFFFAOYSA-N |