N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-1995 |
| Compound Name: | N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C22 H15 N5 O2 S |
| Smiles: | c1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cc2ccccc2o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5114 |
| logD: | 5.511 |
| logSw: | -6.6269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.567 |
| InChI Key: | GKRWMJJWYZEWEB-UHFFFAOYSA-N |