4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-0631 |
| Compound Name: | 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(N3CCC4(CC3)OCCO4)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.465 |
| logD: | 3.465 |
| logSw: | -3.6966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.899 |
| InChI Key: | BYKTYCYKFMDUAW-UHFFFAOYSA-N |