N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | 2515-5387 |
| Compound Name: | N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 300.34 |
| Molecular Formula: | C14 H12 N4 O2 S |
| Smiles: | C(C1=NNC(N1c1ccccc1)=S)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6498 |
| logD: | 0.7992 |
| logSw: | -2.232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.092 |
| InChI Key: | BMWGHJJJCAITRO-UHFFFAOYSA-N |