Basic information
- CAS
907969-25-9- Standard SMILES
Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c(S)cc1Cl- InChIKey
PDMQWTCMIGLFIP-UHFFFAOYSA-N- Molecular formula
- C19H14Cl2N4O3S3
- Average molar mass
- 513.4 g/mol
- Monoisotopic mass
- 511.9605092
Names & identifiers
- Preferred name
- N-[3-amino-6-(4-chlorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide
- IUPAC
- N-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide
Names & synonyms
NSC704335CHEMBL1986039DTXSID201104473NSC-704335907969-25-9N-[3-amino-6-(4-chlorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamideNCI60_037246N-(3-Amino-6-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamideN-[3-Amino-6-(4-chlorophenyl)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide
Database identifiers
- CAS
907969-25-9- PubChem CID
- 397053
- DTXSID
DTXSID201104473- ChEMBL
CHEMBL1986039
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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