N-(pentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-(pentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-(pentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | Y207-3777 |
| Compound Name: | N-(pentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 249.31 |
| Molecular Formula: | C14 H19 N O3 |
| Smiles: | CCC(CC)NC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4382 |
| logD: | 2.4382 |
| logSw: | -2.8617 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.655 |
| InChI Key: | VVEOQWBBOXOFSL-UHFFFAOYSA-N |