Basic information
- CAS
74796-86-4- Standard SMILES
CCN(CC)Cc1nnc(-n2c(-c3ccccc3)nc3ccccc3c2=O)s1- InChIKey
SPVZFWRMZHJWAG-UHFFFAOYSA-N- Molecular formula
- C21H21N5OS
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.14668148
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-((diethylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-phenyl-
- IUPAC
- 3-[5-(diethylaminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one
Names & synonyms
BRN 10387103-(5-((Diethylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-phenyl-4(3H)-quinazolinone74796-86-44(3H)-Quinazolinone, 3-(5-((diethylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-phenyl-RefChem:284117DTXSID209963103-{5-[(Diethylamino)methyl]-1,3,4-thiadiazol-2-yl}-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
74796-86-4- PubChem CID
- 63545
- DTXSID
DTXSID20996310
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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