8-(azepane-1-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-(azepane-1-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
8-(azepane-1-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0032 |
| Compound Name: | 8-(azepane-1-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 289.39 |
| Molecular Formula: | C16 H19 N O2 S |
| Smiles: | C1CCCN(CC1)C(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7492 |
| logD: | 2.7492 |
| logSw: | -3.3344 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.3862 |
| InChI Key: | VWRJEDJROAQMBE-UHFFFAOYSA-N |