N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-0696 |
| Compound Name: | N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6112 |
| logD: | 2.6112 |
| logSw: | -3.1368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.645 |
| InChI Key: | BQZJNAMNGRXQRT-UHFFFAOYSA-N |