Basic information
- CAS
403718-46-7- Standard SMILES
O=C(NCCC1=CCCCC1)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)c(=S)[nH]c2c1- InChIKey
VXGGXIRHAZMZON-UHFFFAOYSA-N- Molecular formula
- C24H22F3N3O2S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.13848261
Names & identifiers
- Preferred name
- N-(2-(cyclohex-1-en-1-yl)ethyl)-4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
- IUPAC
- N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide
Names & synonyms
DTXSID001105225AKOS001753956N-(2-(cyclohex-1-en-1-yl)ethyl)-4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamideEU-0086981VU0138878-2SR-01000541452SR-01000541452-1F3168-0085N-[2-(1-Cyclohexen-1-yl)ethyl]-1,2,3,4-tetrahydro-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-7-quinazolinecarboxamide
Database identifiers
- CAS
403718-46-7- PubChem CID
- 5000761
- DTXSID
DTXSID001105225
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…