2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
Compound characteristics
| Compound ID: | 0584-0139 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C23 H27 N O5 |
| Smiles: | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4754 |
| logD: | 6.4754 |
| logSw: | -5.6477 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.725 |
| InChI Key: | VGVNXVJDVALOAT-UHFFFAOYSA-N |