3-{[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
3-{[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4204-0085 |
| Compound Name: | 3-{[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]amino}benzoic acid |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | C1CCN(C1)C1=C(C(c2ccccc2C1=O)=O)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9464 |
| logD: | 1.0605 |
| logSw: | -4.0063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.708 |
| InChI Key: | FPANSXRROATIST-UHFFFAOYSA-N |