Basic information
- CAS
68142-74-5- Standard SMILES
CCCCc1nnc(-n2c(-c3ccccc3)nc3ccccc3c2=O)s1- InChIKey
RANWFUNVUNZAMG-UHFFFAOYSA-N- Molecular formula
- C20H18N4OS
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.12013238
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-
- IUPAC
- 3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinazolin-4-one
Names & synonyms
BRN 10306264(3H)-Quinazolinone, 3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-68142-74-5DTXSID802183233-(5-Butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4(3H)-quinazolinoneRefChem:284121DTXCID001408143-(5-Butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
68142-74-5- PubChem CID
- 64067
- DTXSID
DTXSID80218323
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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