N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V023-7828 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C30 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3286 |
| logD: | 4.3248 |
| logSw: | -4.2044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.385 |
| InChI Key: | ZVCNEAQZJJGPJT-UHFFFAOYSA-N |