4-[(3-chlorophenyl)methyl]-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
4-[(3-chlorophenyl)methyl]-2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[(3-chlorophenyl)methyl]-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: | K788-8901 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 547.07 |
| Molecular Formula: | C30 H27 Cl N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2749 |
| logD: | 5.2749 |
| logSw: | -5.8592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.155 |
| InChI Key: | HZFLOJXVWMZSKI-UHFFFAOYSA-N |