Chlorasquin
(2S)-2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
| Molecular Formula | C20H19ClN6O5 |
|---|---|
| Molecular Weight | 458.9 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 194.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.11053 |
| Heavy Atoms | 32 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 18921-73-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl |
| InChIKey | GWIBVUFMBFNYLT-ZDUSSCGKSA-N |
📖 Product Overview
Chlorasquin (CAS: 18921-73-8) is a chemical compound with molecular formula C20H19ClN6O5 and molecular weight 458.9 g/mol. Its IUPAC systematic name is (2S)-2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid.
GWIBVUFMBFNYLT-ZDUSSCGKSA-N.
SMILES: C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl.
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