2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-3033 |
| Compound Name: | 2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5223 |
| logD: | 2.5223 |
| logSw: | -2.7964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.93 |
| InChI Key: | VGZVUDIEYZRLNN-UHFFFAOYSA-N |