4-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[(2,5-dimethylphenyl)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: | C700-0095 |
| Compound Name: | 4-[(2,5-dimethylphenyl)methyl]-2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C32 H32 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCC4(CC3)OCCO4)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6655 |
| logD: | 5.6655 |
| logSw: | -5.4055 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.155 |
| InChI Key: | OTPMVQWNDQQUAT-UHFFFAOYSA-N |