2-bromo-N-[1-(3-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[1-(3-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[1-(3-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 4295-0457 |
| Compound Name: | 2-bromo-N-[1-(3-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C22 H23 Br F N3 O2 |
| Smiles: | CN1CCCN(CC1)C(/C(=C/c1cccc(c1)F)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9896 |
| logD: | 2.9896 |
| logSw: | -3.5587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.619 |
| InChI Key: | QQIYLQUKCGHBCP-UHFFFAOYSA-N |