3-amino-2-methoxy-5,6,7,8-tetrahydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-amino-2-methoxy-5,6,7,8-tetrahydro-4H-1-benzothiopyran-4-one
3-amino-2-methoxy-5,6,7,8-tetrahydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | 8017-4049 |
| Compound Name: | 3-amino-2-methoxy-5,6,7,8-tetrahydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 211.28 |
| Molecular Formula: | C10 H13 N O2 S |
| Smiles: | COC1=C(C(C2CCCCC=2S1)=O)N |
| Stereo: | ACHIRAL |
| logP: | 1.9422 |
| logD: | 1.9388 |
| logSw: | -1.843 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.189 |
| InChI Key: | DSGMTKHOYZNIQF-UHFFFAOYSA-N |