N-(4-methoxyphenyl)-2-(3-sulfanylidene-6,7-dihydro-3H-pyrrolo[2,1-c][1,2,4]triazol-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-(3-sulfanylidene-6,7-dihydro-3H-pyrrolo[2,1-c][1,2,4]triazol-2(5H)-yl)acetamide
N-(4-methoxyphenyl)-2-(3-sulfanylidene-6,7-dihydro-3H-pyrrolo[2,1-c][1,2,4]triazol-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | 8014-1862 |
| Compound Name: | N-(4-methoxyphenyl)-2-(3-sulfanylidene-6,7-dihydro-3H-pyrrolo[2,1-c][1,2,4]triazol-2(5H)-yl)acetamide |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C14 H16 N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(CN1C(N2CCCC2=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.766 |
| logD: | 1.7659 |
| logSw: | -2.4928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.936 |
| InChI Key: | WDEOAAGPJAFWDW-UHFFFAOYSA-N |