propan-2-yl 2-methyl-5-[(4-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-methyl-5-[(4-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
propan-2-yl 2-methyl-5-[(4-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0172 |
| Compound Name: | propan-2-yl 2-methyl-5-[(4-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C20 H17 N O7 |
| Smiles: | CC(C)OC(c1c2cc(ccc2oc1C)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5004 |
| logD: | 4.5004 |
| logSw: | -4.6353 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.378 |
| InChI Key: | RTCKHUMLOOVADM-UHFFFAOYSA-N |