N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-8326 |
| Compound Name: | N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 680.87 |
| Molecular Formula: | C35 H32 N6 O3 S3 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(COc2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6876 |
| logD: | 6.6876 |
| logSw: | -5.5412 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.901 |
| InChI Key: | ZTKJAGXXJINUDX-UHFFFAOYSA-N |