N-[(2H-1,3-benzodioxol-5-yl)methyl]benzenecarbothioamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]benzenecarbothioamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]benzenecarbothioamide
Compound characteristics
| Compound ID: | 8017-1738 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]benzenecarbothioamide |
| Molecular Weight: | 271.34 |
| Molecular Formula: | C15 H13 N O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2216 |
| logD: | 3.2216 |
| logSw: | -3.2486 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.1577 |
| InChI Key: | NGCYQSBZCJVAPC-UHFFFAOYSA-N |