N-(1,3-benzothiazol-2-yl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(1,3-benzothiazol-2-yl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D583-1629 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C20 H20 N6 O3 S3 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5998 |
| logD: | 2.5998 |
| logSw: | -3.1037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.527 |
| InChI Key: | YHVBXUOFKDMQMV-UHFFFAOYSA-N |