3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-4H-1-benzothiopyran-4-one
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0041 |
| Compound Name: | 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 317.4 |
| Molecular Formula: | C17 H19 N O3 S |
| Smiles: | Cc1ccc2c(c1)C(C(=CS2)N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9305 |
| logD: | 2.9265 |
| logSw: | -3.276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.9216 |
| InChI Key: | VSSPHNGKLQIAAL-UHFFFAOYSA-N |