nf449
4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid
| Molecular Formula | C41H32N6O29S8 |
|---|---|
| Molecular Weight | 1329.3 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 660.0 A2 |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 18 |
| Exact Mass | 1327.898 |
| Heavy Atoms | 84 |
| Complexity | 2990.0 |
Chemical Identifiers
| CAS Number | 389142-38-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=C(C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FXAIVMYRMNONEG-UHFFFAOYSA-N |
📖 Product Overview
nf449 (CAS: 389142-38-5) is a chemical compound with molecular formula C41H32N6O29S8 and molecular weight 1329.3 g/mol. Its IUPAC systematic name is 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid.
FXAIVMYRMNONEG-UHFFFAOYSA-N.
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=C(C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O.
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