6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0648 |
| Compound Name: | 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C24 H24 N2 O4 S |
| Smiles: | Cc1cccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCC3(CC2)OCCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4443 |
| logD: | 3.4443 |
| logSw: | -3.7376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.93 |
| InChI Key: | SBUFYFGXPDTNKX-UHFFFAOYSA-N |