1-(3,4-dimethylphenyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
1-(3,4-dimethylphenyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Compound characteristics
| Compound ID: | M070-0288 |
| Compound Name: | 1-(3,4-dimethylphenyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide |
| Molecular Weight: | 392.56 |
| Molecular Formula: | C18 H20 N2 O2 S3 |
| Smiles: | CCSc1nc2ccc(cc2s1)NS(Cc1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7829 |
| logD: | 5.6231 |
| logSw: | -5.5092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.597 |
| InChI Key: | PVHBJNSUQQEYKQ-UHFFFAOYSA-N |