Basic information
- Standard SMILES
CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(N3CCC(O)C3)cc2c1=O- InChIKey
XHQIPQSKIVOQRA-UHFFFAOYSA-N- Molecular formula
- C13H15N5O7S
- Average molar mass
- 385.36 g/mol
Names & identifiers
- Preferred name
- N-[6-(3-Hydroxy-pyrrolidin-1-yl)-7-nitro-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide
- IUPAC
- N-[6-(3-hydroxypyrrolidin-1-yl)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide
Names & synonyms
SCHEMBL5165309XHQIPQSKIVOQRA-UHFFFAOYSA-NN-[6-(3-Hydroxy-pyrrolidin-1-yl)-7-nitro-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide
Database identifiers
- PubChem CID
- 11545484
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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