Basic information
- CAS
73265-34-6- Standard SMILES
C1CNCCN1.O=C(O)c1ccc(-n2c(Sc3ccccc3Cl)nc3ccccc3c2=O)cc1.O=C(O)c1ccc(-n2c(Sc3ccccc3Cl)nc3ccccc3c2=O)cc1- InChIKey
SFPVJXYZOAQGLJ-UHFFFAOYSA-N- Molecular formula
- C46H36Cl2N6O6S2
- Average molar mass
- 903.9 g/mol
- Monoisotopic mass
- 902.1514806
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-((2-chlorophenyl)thio)-4-oxo-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)
- IUPAC
- bis(4-[2-(2-chlorophenyl)sulfanyl-4-oxoquinazolin-3-yl]benzoic acid);piperazine
Names & synonyms
Piperazine 1,4-bis(4-(2-((2-chlorophenyl)thio)-4-oxo-3(4H)-quinazolinyl)benzoate)73265-34-6DTXSID80223492RefChem:327388DTXCID801459834-{2-[(2-Chlorophenyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid--piperazine (2/1)
Database identifiers
- CAS
73265-34-6- PubChem CID
- 3056017
- DTXSID
DTXSID80223492
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…