N-(1-{2-[(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-1-oxobut-2-en-2-yl)benzamide
Chemical Structure Depiction of
N-(1-{2-[(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-1-oxobut-2-en-2-yl)benzamide
N-(1-{2-[(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-1-oxobut-2-en-2-yl)benzamide
Compound characteristics
| Compound ID: | K087-0418 |
| Compound Name: | N-(1-{2-[(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-1-oxobut-2-en-2-yl)benzamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C31 H34 F N5 O3 |
| Smiles: | [H]C(\c1ccc(c(CN2CCN(CC2)c2ccc(cc2)F)c1)OC)=N/NC(C(=C(C)C)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6458 |
| logD: | 2.2764 |
| logSw: | -4.4059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.767 |
| InChI Key: | CFYQFBCMIZKIRE-UHFFFAOYSA-N |