RefChem:1071758
(Z)-but-2-enedioic acid;9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Also Known As: 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1)|1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat [German]|1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat|(Z)-but-2-enedioic acid; 9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
| Molecular Formula | C22H21ClN2O5 |
|---|---|
| Molecular Weight | 428.1139 g/mol |
| LogP | 3.108 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.1139 |
| Monoisotopic Mass | 428.1139 |
| Heavy Atoms | 30 |
| Complexity | 958.7481 |
Chemical Identifiers
| CAS Number | 75017-25-3 |
|---|---|
| SMILES | C1COCC2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1071758 (CAS 75017-25-3), with molecular formula C22H21ClN2O5 and molecular weight 428.1139 g/mol. IUPAC: (Z)-but-2-enedioic acid;9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
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