1-[3-(Trifluoromethyl)phenyl]ethyl N-{2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}-carbamate
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Basic information
- Standard SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(Cl)c3)c2cc1OC- InChIKey
VAQCMSTUNSFTPW-UHFFFAOYSA-N- Molecular formula
- C26H21ClF3N3O5
- Average molar mass
- 547.9 g/mol
Names & identifiers
- Preferred name
- 1-[3-(Trifluoromethyl)phenyl]ethyl N-{2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}-carbamate
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
Names & synonyms
1-[3-(Trifluoromethyl)phenyl]ethyl N-{2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}-carbamateSCHEMBL58252201-[3-(Trifluoromethyl)phenyl]ethyl N-{2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}carbamate
Database identifiers
- PubChem CID
- 21889983
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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