2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-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-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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | J015-0372 |
| Compound Name: | 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C19 H16 Cl N5 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(COc1ccc(cc1n1cnnc1)[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2721 |
| logD: | 2.0934 |
| logSw: | -4.0902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | MAWPSHNWTXLTJZ-UHFFFAOYSA-N |