N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-09985 |
| Compound Name: | N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 500.51 |
| Molecular Formula: | C19 H16 N8 O5 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccco3)=O)n2c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5032 |
| logD: | 1.4624 |
| logSw: | -2.43 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.834 |
| InChI Key: | DJCAFCCRPBFRDT-UHFFFAOYSA-N |