| Drug Name |
1-Benzyl-3-bromo-1H-pyrrole-2,5-dione
|
| Synonyms |
1-benzyl-3-bromo-1H-pyrrole-2,5-dione; 112749-49-2; 3-bromo-2,5-dihydro-1-benzyl-1h-pyrrole-2,5-dione; SCHEMBL4848605; CHEMBL3653656; LLBVECSKMXUDOT-UHFFFAOYSA-N; BDBM136369; ZINC34614650; AKOS027470535; 1-BENZYL-3-BROMOPYRROLE-2,5-DIONE; US8865750, CCG- 203780
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| Drug Type |
Small molecular drug
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| Structure |
|
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|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
266.09 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.9 |
| Rotatable Bond Count (rotbonds) |
2 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
2 |
| Chemical Identifiers |
- Formula
- C11H8BrNO2
- IUPAC Name
1-benzyl-3-bromopyrrole-2,5-dione - Canonical SMILES
-
C1=CC=C(C=C1)CN2C(=O)C=C(C2=O)Br
- InChI
-
InChI=1S/C11H8BrNO2/c12-9-6-10(14)13(11(9)15)7-8-4-2-1-3-5-8/h1-6H,7H2
- InChIKey
-
LLBVECSKMXUDOT-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 15628904
- TTD ID
- D01GFH
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