Hydroxy[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]acetic acid
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Basic information
- Standard SMILES
O=C(O)C(O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2- InChIKey
VQPLPFAZXRAQCZ-UHFFFAOYSA-N- Molecular formula
- C22H15F6N3O6S
- Average molar mass
- 563.4 g/mol
- Monoisotopic mass
- 563.05857535
Names & identifiers
- Preferred name
- Hydroxy[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]acetic acid
- IUPAC
- 2-hydroxy-2-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]acetic acid
Names & synonyms
Hydroxy[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]acetic acidSCHEMBL1085864
Database identifiers
- PubChem CID
- 59618708
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 953
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Related reactions
1 records
Compound notes
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