methyl 4-[2-(4-tert-butylbenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-tert-butylbenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
methyl 4-[2-(4-tert-butylbenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2733-3776 |
| Compound Name: | methyl 4-[2-(4-tert-butylbenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C28 H27 N3 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0861 |
| logD: | 5.9482 |
| logSw: | -5.6568 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.81 |
| InChI Key: | FHEDDNPYQIFBJI-UHFFFAOYSA-N |