N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | J031-1097 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C15 H15 N O3 S |
| Smiles: | C1COc2ccc(CNC(c3cccs3)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0433 |
| logD: | 2.0433 |
| logSw: | -2.698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | IDVKLLAEJKWCGC-UHFFFAOYSA-N |