N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-5-(2-nitrophenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-5-(2-nitrophenyl)furan-2-carboxamide
N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-5-(2-nitrophenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | 3149-0157 |
| Compound Name: | N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-5-(2-nitrophenyl)furan-2-carboxamide |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C25 H18 N6 O4 S |
| Smiles: | Cc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1ccc(c2ccccc2[N+]([O-])=O)o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8851 |
| logD: | 5.8849 |
| logSw: | -5.5104 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.754 |
| InChI Key: | IHMIYOSWPLQNJI-UHFFFAOYSA-N |