N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-0695 |
| Compound Name: | N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9887 |
| logD: | 2.9887 |
| logSw: | -3.3508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.101 |
| InChI Key: | XRZNTLPNIYILFO-UHFFFAOYSA-N |