2-[(3-bromophenyl)methylidene]-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methylidene]-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromophenyl)methylidene]-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-3353 |
| Compound Name: | 2-[(3-bromophenyl)methylidene]-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 515.42 |
| Molecular Formula: | C24 H23 Br N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8239 |
| logD: | 3.8239 |
| logSw: | -4.0346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.899 |
| InChI Key: | ZZQWGWIUBYEGHR-UHFFFAOYSA-N |