AC1Ldppu
Basic information
- CAS
52979-06-3- Standard SMILES
Nc1nc(=O)[nH]c2ccc(Sc3ccc4ccccc4c3)cc12- InChIKey
AIZZNMJLXYTWBX-UHFFFAOYSA-N- Molecular formula
- C18H13N3OS
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.07793322
Names & identifiers
- Preferred name
- AC1Ldppu
- IUPAC
- 4-amino-6-naphthalen-2-ylsulfanyl-1H-quinazolin-2-one
Names & synonyms
AC1LDPPU52979-06-3DTXSID80347627RefChem:313918DTXCID70298699CHEMBL69054-Amino-2-hydroxy-6-[2-naphthylthio]quinazolineAIZZNMJLXYTWBX-UHFFFAOYSA-N4-Amino-6-(2-naphthylsulfanyl)-2-quinazolinol #4-Amino-6-[(naphthalen-2-yl)sulfanyl]quinazolin-2(1H)-one
Database identifiers
- CAS
52979-06-3- PubChem CID
- 623951
- DTXSID
DTXSID80347627- ChEMBL
CHEMBL6905
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
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Related reactions
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Compound notes
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