propan-2-yl 2-(4-amino-3-nitrobenzoyl)benzoate
Chemical Structure Depiction of
propan-2-yl 2-(4-amino-3-nitrobenzoyl)benzoate
propan-2-yl 2-(4-amino-3-nitrobenzoyl)benzoate
Compound characteristics
Compound ID: | 1111-1005 |
Compound Name: | propan-2-yl 2-(4-amino-3-nitrobenzoyl)benzoate |
Molecular Weight: | 328.32 |
Molecular Formula: | C17 H16 N2 O5 |
Smiles: | CC(C)OC(c1ccccc1C(c1ccc(c(c1)[N+]([O-])=O)N)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.263 |
logD: | 3.263 |
logSw: | -4.0735 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.315 |
InChI Key: | WWLNITKFPXGJAS-UHFFFAOYSA-N |