2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 4027-0027 |
| Compound Name: | 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 581.14 |
| Molecular Formula: | C26 H21 Cl N6 O2 S3 |
| Smiles: | Cn1c(c2ccc(cc2)N)nnc1SCC(Nc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9625 |
| logD: | 4.9625 |
| logSw: | -5.0974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.063 |
| InChI Key: | ZHTRHPAXSGECDV-UHFFFAOYSA-N |