methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzamido)prop-2-enoate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzamido)prop-2-enoate
methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzamido)prop-2-enoate
Compound characteristics
| Compound ID: | 5902-0823 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzamido)prop-2-enoate |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C22 H23 N O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc2c(c1)OCO2)\C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0022 |
| logD: | 4.7441 |
| logSw: | -4.7326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.452 |
| InChI Key: | JGQMRVQLHFXRLV-UHFFFAOYSA-N |