Basic information
- CAS
69561-39-3- Standard SMILES
O=c1c2ccccc2ncn1S(=O)(=O)c1ccc(N(CCCl)CCCl)cc1- InChIKey
VDKWSJASSJCPOG-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2N3O3S
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.036768
Names & identifiers
- Preferred name
- 3-[4-[Bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-one
- IUPAC
- 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-one
Names & synonyms
69561-39-33-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-oneNSC225382DTXSID50310343NSC-2253823-{4-[Bis(2-chloroethyl)amino]benzene-1-sulfonyl}quinazolin-4(3H)-one
Database identifiers
- CAS
69561-39-3- PubChem CID
- 312980
- DTXSID
DTXSID50310343
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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