N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
Chemical Structure Depiction of
N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-10052 |
| Compound Name: | N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C20 H18 F N7 O3 S3 |
| Smiles: | CCSc1nnc(NC(CSc2nnc(CNC(c3ccco3)=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1224 |
| logD: | 3.1206 |
| logSw: | -3.3548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.007 |
| InChI Key: | XVMSAKRWKLALLH-UHFFFAOYSA-N |