3-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrrolidine-1-carbothioamide
Chemical Structure Depiction of
3-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrrolidine-1-carbothioamide
3-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrrolidine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-7691 |
| Compound Name: | 3-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrrolidine-1-carbothioamide |
| Molecular Weight: | 304.45 |
| Molecular Formula: | C17 H24 N2 O S |
| Smiles: | Cc1ccc(cc1)C1CCN(C1)C(NCC1CCCO1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3151 |
| logD: | 3.3151 |
| logSw: | -3.2309 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.141 |
| InChI Key: | BUGVGPVYWQQFOC-UHFFFAOYSA-N |