2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | J015-0375 |
| Compound Name: | 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | CC1CCc2c(C#N)c(NC(COc3ccc(cc3n3cnnc3)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.706 |
| logD: | 2.5274 |
| logSw: | -4.7785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | HAMXBAYZMFHKEG-GFCCVEGCSA-N |