N-(2-{[2-(2-methoxyanilino)-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-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-3900 |
| Compound Name: | N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C21 H20 N6 O3 S3 |
| Smiles: | Cn1cnnc1SCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0676 |
| logD: | 3.0676 |
| logSw: | -3.4749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.774 |
| InChI Key: | NBBJSSGGKWDHLE-UHFFFAOYSA-N |