Basic information
- CAS
51123-77-4- Standard SMILES
Nc1nc(N)c2cc(S(=O)c3ccc4ccccc4c3)ccc2n1- InChIKey
QSWGIUCUSOBPPC-UHFFFAOYSA-N- Molecular formula
- C18H14N4OS
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.08883226
Names & identifiers
- Preferred name
- 6-Naphthalen-2-ylsulfinylquinazoline-2,4-diamine
- IUPAC
- 6-naphthalen-2-ylsulfinylquinazoline-2,4-diamine
Names & synonyms
CHEMBL697951123-77-46-naphthalen-2-ylsulfinylquinazoline-2,4-diamineNSC305781DTXSID30316702BDBM50404681NSC-305781DS-0036532,4-QUINAZOLINEDIAMINE,6-(2-NAPHTHALENYLSULFINYL)-6-(NAPHTHALENE-2-SULFINYL)QUINAZOLINE-2,4-DIAMINE
Database identifiers
- CAS
51123-77-4- PubChem CID
- 328136
- DTXSID
DTXSID30316702- ChEMBL
CHEMBL6979
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…