4-[(2,5-dimethylphenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2,5-dimethylphenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[(2,5-dimethylphenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C122-0481 |
| Compound Name: | 4-[(2,5-dimethylphenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C25 H28 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(CSc3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4092 |
| logD: | 3.4092 |
| logSw: | -3.685 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.704 |
| InChI Key: | XGNHNXSYANMLEB-UHFFFAOYSA-N |