methyl 2-[(2-chloropropanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-chloropropanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-[(2-chloropropanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | V029-9973 |
| Compound Name: | methyl 2-[(2-chloropropanamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 297.74 |
| Molecular Formula: | C14 H16 Cl N O4 |
| Smiles: | CC(C(NCC1Cc2cc(ccc2O1)C(=O)OC)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3644 |
| logD: | 2.3644 |
| logSw: | -2.941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.693 |
| InChI Key: | STVQWTKMHFGUBY-UHFFFAOYSA-N |