N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)furan-2-carboxamide
N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D481-3291 |
| Compound Name: | N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C27 H21 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nnc(c2ccc(cc2)NC(c2ccco2)=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5778 |
| logD: | 4.5778 |
| logSw: | -4.5549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.531 |
| InChI Key: | IBINCTWTSKROMN-UHFFFAOYSA-N |