N-(2,5-dimethylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide--hydrogen chloride (1/1)
N-(2,5-dimethylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F045-0055 |
| Compound Name: | N-(2,5-dimethylphenyl)-5-{[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]methyl}furan-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 520.03 |
| Molecular Formula: | C28 H29 N5 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(C)c(c1)NC(c1ccc(CN2C(C=CC(=N2)N2CCN(CC2)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0204 |
| logD: | 4.0203 |
| logSw: | -4.026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.619 |
| InChI Key: | ZXEOJSLSUOFOMW-UHFFFAOYSA-N |