2-(azepane-1-carbonyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
2-(azepane-1-carbonyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | L305-1719 |
| Compound Name: | 2-(azepane-1-carbonyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C22 H29 N3 O6 S2 |
| Smiles: | C1CCCN(CC1)C(C1C(Nc2cc(ccc2S1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2306 |
| logD: | 2.2305 |
| logSw: | -3.0126 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.243 |
| InChI Key: | RFTGDGNRVPDOQY-IBGZPJMESA-N |