4-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
4-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V027-5469 |
| Compound Name: | 4-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C28 H30 F N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC=C)C(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9496 |
| logD: | 3.9164 |
| logSw: | -3.8113 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | FPPNWUSDBVXQEG-UHFFFAOYSA-N |