N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2515-5614 |
| Compound Name: | N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C15 H14 N4 O2 S2 |
| Smiles: | COc1ccc(cc1)N1C(CNC(c2cccs2)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.4321 |
| logD: | 1.5815 |
| logSw: | -2.7021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.076 |
| InChI Key: | ISDHIIZDAICTJY-UHFFFAOYSA-N |