methyl 2-[(2-ethylhexanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-ethylhexanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-[(2-ethylhexanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | V014-5494 |
| Compound Name: | methyl 2-[(2-ethylhexanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C19 H27 N O4 |
| Smiles: | CCCCC(CC)C(NCC1Cc2cc(ccc2O1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3056 |
| logD: | 4.3056 |
| logSw: | -4.3839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.693 |
| InChI Key: | GYWCTUVSMYJXPL-UHFFFAOYSA-N |