N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-5561 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 565.74 |
| Molecular Formula: | C30 H23 N5 O S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0042 |
| logD: | 7.0042 |
| logSw: | -6.0952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.672 |
| InChI Key: | OMTRFJPVAQKXCN-UHFFFAOYSA-N |