N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-9034 |
| Compound Name: | N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 519.06 |
| Molecular Formula: | C21 H19 Cl N6 O2 S3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nc2ccc(cc2s1)NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7047 |
| logD: | 4.7045 |
| logSw: | -4.8017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.841 |
| InChI Key: | XTKUHWIVPWVHNA-UHFFFAOYSA-N |