N-(5-fluoro-2-methylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide
N-(5-fluoro-2-methylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | F045-0045 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C27 H26 F N5 O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(CN2C(C=CC(=N2)N2CCN(CC2)c2ccccc2)=O)o1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.9015 |
| logD: | 3.8994 |
| logSw: | -4.0074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.619 |
| InChI Key: | RVWXAIRPVNQEJT-UHFFFAOYSA-N |