N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2515-5386 |
| Compound Name: | N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C14 H12 N4 O S2 |
| Smiles: | C(C1=NNC(N1c1ccccc1)=S)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3282 |
| logD: | 1.4775 |
| logSw: | -2.6656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.532 |
| InChI Key: | RYAZVXLADCUHAQ-UHFFFAOYSA-N |