Basic information
- Standard SMILES
CC(C)(C)c1ccc(Nc2nc(COP(=O)(OCc3ccccc3)OCc3ccccc3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1- InChIKey
QAOQTVQKJFLWEX-UHFFFAOYSA-N- Molecular formula
- C39H36F3N4O4P
- Average molar mass
- 712.7 g/mol
Names & identifiers
- Preferred name
- Phosphoric acid dibenzyl ester 4-(4-tert-butyl-phenylamino)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-2-ylmethyl ester
- IUPAC
- dibenzyl [4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl phosphate
Names & synonyms
Phosphoric acid dibenzyl ester 4-(4-tert-butyl-phenylamino)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-2-ylmethyl esterSCHEMBL5109114
Database identifiers
- PubChem CID
- 9987362
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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