(5-Methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanone
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1cc(C(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)n[nH]1- InChIKey
OEPVYDYAVLKRQJ-UHFFFAOYSA-N- Molecular formula
- C25H17F6N5O4S
- Average molar mass
- 597.5 g/mol
Names & identifiers
- Preferred name
- (5-Methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanone
- IUPAC
- (5-methyl-1H-pyrazol-3-yl)-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]methanone
Names & synonyms
(5-Methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanoneSCHEMBL1085502
Database identifiers
- PubChem CID
- 59618680
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,050
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Related reactions
3 records
Compound notes
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