Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4ccc(-c5ccc(CN6C7CCC6CC(O)C7)cc5)cc34)ccc21- InChIKey
CVJSWLMXPWFINH-UHFFFAOYSA-N- Molecular formula
- C36H33N5O3S
- Average molar mass
- 615.7 g/mol
Names & identifiers
- Preferred name
- 8-{4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol
- IUPAC
- 8-[[4-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
Names & synonyms
SCHEMBL6308480CVJSWLMXPWFINH-UHFFFAOYSA-N8-{4-[4-(1 -Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol8-{4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol
Database identifiers
- PubChem CID
- 9851963
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
3 records
Compound notes
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