N-[2-(4-tert-butylbenzamido)-3-(furan-2-yl)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(4-tert-butylbenzamido)-3-(furan-2-yl)prop-2-enoyl]-beta-alanine
N-[2-(4-tert-butylbenzamido)-3-(furan-2-yl)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 4391-1879 |
| Compound Name: | N-[2-(4-tert-butylbenzamido)-3-(furan-2-yl)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C21 H24 N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccco1)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4525 |
| logD: | -0.2432 |
| logSw: | -2.7081 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.822 |
| InChI Key: | XTTMUFBNNOFHHJ-UHFFFAOYSA-N |