N-{[(pyridin-3-yl)methyl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[(pyridin-3-yl)methyl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[(pyridin-3-yl)methyl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-1984 |
| Compound Name: | N-{[(pyridin-3-yl)methyl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C(c1cccnc1)NC(NC(c1cc2ccccc2o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4861 |
| logD: | 2.4824 |
| logSw: | -2.9592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.373 |
| InChI Key: | KKCNEENPQLJWOA-UHFFFAOYSA-N |