Basic information
- Standard SMILES
COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C(C)C)CC5C=CCCCCN(C)C(=O)C4C3)nc(-c3cccc(F)c3)nc2c1C- InChIKey
RFKVQEKUJZERIK-UHFFFAOYSA-N- Molecular formula
- C37H44FN5O7S
- Average molar mass
- 721.8 g/mol
Names & identifiers
- Preferred name
- Propane-2-sulfonic acid {17-[2-(3-fluoro-phenyl)-7-methoxy-8-methyl-quinazolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl}-amide
- IUPAC
- 17-[2-(3-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy-13-methyl-2,14-dioxo-N-propan-2-ylsulfonyl-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
Names & synonyms
RFKVQEKUJZERIK-UHFFFAOYSA-NPropane-2-sulfonic acid {17-[2-(3-fluoro-phenyl)-7-methoxy-8-methyl-quinazolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl}-amide
Database identifiers
- PubChem CID
- 76593229
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,430
Related reactions
1 records
Compound notes
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