N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]glycine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]glycine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]glycine
Compound characteristics
| Compound ID: | 0242-1191 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]glycine |
| Molecular Weight: | 458.42 |
| Molecular Formula: | C22 H22 N2 O9 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(=C\c1ccc2c(c1)OCO2)\C(NCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0303 |
| logD: | -2.6049 |
| logSw: | -2.1294 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.325 |
| InChI Key: | KYCTUSWICJXSEE-UHFFFAOYSA-N |