N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8008-6382 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 651.45 |
| Molecular Formula: | C25 H18 Br Cl2 N5 O S3 |
| Smiles: | Cn1c(c2ccc(cc2[Cl])[Cl])nnc1SCC(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.444 |
| logD: | 7.444 |
| logSw: | -6.486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.01 |
| InChI Key: | KGIWOPUHPXHSCN-UHFFFAOYSA-N |