2-benzylidene-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8711 |
| Compound Name: | 2-benzylidene-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C30 H27 F N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6663 |
| logD: | 4.6663 |
| logSw: | -4.731 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.155 |
| InChI Key: | XOCROUNHUKWIHU-UHFFFAOYSA-N |