N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-3755 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2ccco2)=O)n1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0433 |
| logD: | 4.0433 |
| logSw: | -4.0112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.8 |
| InChI Key: | ZDEWWQGOKKFQOI-UHFFFAOYSA-N |