N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-09975 |
| Compound Name: | N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 508.51 |
| Molecular Formula: | C23 H20 N6 O6 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6584 |
| logD: | 2.6584 |
| logSw: | -3.1672 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.027 |
| InChI Key: | KGVGJFUPCVOHFS-UHFFFAOYSA-N |