methyl 4-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
methyl 4-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
Compound characteristics
| Compound ID: | C090-0252 |
| Compound Name: | methyl 4-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate |
| Molecular Weight: | 548.57 |
| Molecular Formula: | C32 H25 F N4 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5802 |
| logD: | 7.5802 |
| logSw: | -6.0233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.981 |
| InChI Key: | AHDHZQOVGAZBCA-UHFFFAOYSA-N |