2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Compound characteristics
Compound ID: | 0104-0046 |
Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione |
Molecular Weight: | 473.72 |
Molecular Formula: | C25 H31 N O2 S3 |
Smiles: | CCCCCCCCCCCCSC1=CC(C(=CC1=O)Sc1nc2ccccc2s1)=O |
Stereo: | ACHIRAL |
logP: | 9.3059 |
logD: | 9.3059 |
logSw: | -5.8609 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 35.736 |
InChI Key: | RQJFEVYUVCOMMS-UHFFFAOYSA-N |