methyl 4-(4-benzylpiperazin-1-yl)-3-(3-fluorobenzamido)benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-(4-benzylpiperazin-1-yl)-3-(3-fluorobenzamido)benzoate--hydrogen chloride (1/1)
methyl 4-(4-benzylpiperazin-1-yl)-3-(3-fluorobenzamido)benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F019-2151 |
| Compound Name: | methyl 4-(4-benzylpiperazin-1-yl)-3-(3-fluorobenzamido)benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 483.97 |
| Molecular Formula: | C26 H26 F N3 O3 |
| Salt: | HCl |
| Smiles: | COC(c1ccc(c(c1)NC(c1cccc(c1)F)=O)N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.806 |
| logD: | 4.1748 |
| logSw: | -4.6271 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.498 |
| InChI Key: | ITRYKYBYLVYZSE-UHFFFAOYSA-N |