ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | F975-0197 |
| Compound Name: | ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C25 H26 F N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCN(CC1)C1C=CC(N(c2ccc(cc2)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5344 |
| logD: | 3.5328 |
| logSw: | -3.5541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.066 |
| InChI Key: | MBTBXTQSPFAZOG-UHFFFAOYSA-N |