N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0049 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC1CCc2c(C#N)c(NC(COc3ccc(C)cc3n3cnnc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5814 |
| logD: | 2.4027 |
| logSw: | -4.2114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | SEGVETONNXZUBG-CQSZACIVSA-N |