1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D116-0010 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | C(Cc1ccccc1)C(n1c(NCc2cccs2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9276 |
| logD: | 3.9276 |
| logSw: | -4.1584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.296 |
| InChI Key: | MSRVHFZISYWJGT-UHFFFAOYSA-N |