4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-fluorobenzoate
4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | IB08-0669 |
| Compound Name: | 4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-fluorobenzoate |
| Molecular Weight: | 504.48 |
| Molecular Formula: | C29 H17 F N4 O4 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1ccc(cc1)OC(c1ccc(cc1)F)=O)n1c2ccccc2nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.89 |
| logD: | 4.83 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.32 |
| InChI Key: | JAKUVIHTSRGQTF-UHFFFAOYSA-N |