2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8010-3802 |
| Compound Name: | 2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 671.26 |
| Molecular Formula: | C33 H27 Cl N6 O2 S3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(c2ccccc2)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3974 |
| logD: | 8.3972 |
| logSw: | -6.4047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.078 |
| InChI Key: | DUOJGFIHCAPFHF-UHFFFAOYSA-N |