4-butyl-6-chloro-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

HCID 11854331
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Basic information

Standard SMILES
CCCCC1(C(F)(F)F)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F
InChIKey
PVNLHAIGZPRTHB-UHFFFAOYSA-N
Molecular formula
C15H15ClF6N2O
Average molar mass
388.73 g/mol
Monoisotopic mass
388.0777098

Names & identifiers

Preferred name
4-butyl-6-chloro-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one
IUPAC
4-butyl-6-chloro-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one

Names & synonyms

4-butyl-6-chloro-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-oneSCHEMBL2470319

Database identifiers

PubChem CID
11854331

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

Related reactions

1 records
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Compound notes

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