N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0404 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCc1ccc(c(c1)n1cnnc1)OCC(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6213 |
| logD: | 2.4427 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | QEBBYTHQEUUPON-UHFFFAOYSA-N |