N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0428 |
| Compound Name: | N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C15 H15 N O3 S |
| Smiles: | C1COc2ccc(cc2OC1)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1927 |
| logD: | 2.1927 |
| logSw: | -2.7621 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | RLSZOFXCVKTLPR-UHFFFAOYSA-N |