N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8344 |
| Compound Name: | N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | C1CCC(C1)CCc1nc(NC(C2=Cc3ccccc3C(=O)S2)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.2133 |
| logD: | 4.1301 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.791 |
| InChI Key: | SJYAUBIEOSJSTO-UHFFFAOYSA-N |