methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate
methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate
Compound characteristics
| Compound ID: | 4204-0025 |
| Compound Name: | methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C18 H12 Cl N O4 |
| Smiles: | COC(c1cccc(c1)NC1=C(C(c2ccccc2C1=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1165 |
| logD: | 4.1093 |
| logSw: | -4.5987 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.737 |
| InChI Key: | YXFXJSDMAFOQHZ-UHFFFAOYSA-N |