CHEMBL147186
3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Also Known As: GW7854|GI 181771|GW 7854|3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid|3-[[1-[2-(N-isopropylanilino)-2-oxo-ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
CAS: 305366-98-7
| Molecular Formula | C34H31N5O6 |
|---|---|
| Molecular Weight | 605.2274 g/mol |
| LogP | 5.028 |
| Topological Polar Surface Area | 139.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 605.2274 |
| Monoisotopic Mass | 605.2274 |
| Heavy Atoms | 45 |
| Complexity | 1744.4669 |
Chemical Identifiers
| CAS Number | 305366-98-7 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5 |
Product Overview
CHEMBL147186 (CAS 305366-98-7), with molecular formula C34H31N5O6 and molecular weight 605.2274 g/mol. IUPAC: 3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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