Basic information
- Standard SMILES
CC(=O)c1ccc(N2CCN(c3cc4c(=O)n(NS(C)(=O)=O)c(=O)[nH]c4cc3[N+](=O)[O-])CC2)cc1- InChIKey
WFDPQHASAOJHSZ-UHFFFAOYSA-N- Molecular formula
- C21H22N6O7S
- Average molar mass
- 502.5 g/mol
Names & identifiers
- Preferred name
- N-{6-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-7-nitro-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl}-methanesulfonamide
- IUPAC
- N-[6-[4-(4-acetylphenyl)piperazin-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide
Names & synonyms
SCHEMBL5469224WFDPQHASAOJHSZ-UHFFFAOYSA-NN-{6-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-7-nitro-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl}-methanesulfonamide
Database identifiers
- PubChem CID
- 11533446
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 964
Related reactions
2 records
Compound notes
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