C,C,C-trifluoro-N-{3-[4-(6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)-phenyl]-acryloyl}-methanesulfonamide

HCID 69780904
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Basic information

Standard SMILES
O=C(C=Cc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1)NS(=O)(=O)C(F)(F)F
InChIKey
XOWVSXCPJHZAFV-UHFFFAOYSA-N
Molecular formula
C27H22F3NO3S
Average molar mass
497.5 g/mol

Names & identifiers

Preferred name
C,C,C-trifluoro-N-{3-[4-(6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)-phenyl]-acryloyl}-methanesulfonamide
IUPAC
3-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-N-(trifluoromethylsulfonyl)prop-2-enamide

Names & synonyms

C,C,C-trifluoro-N-{3-[4-(6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)-phenyl]-acryloyl}-methanesulfonamideSCHEMBL6438036

Database identifiers

PubChem CID
69780904

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

Related reactions

3 records
New reaction record

Compound notes

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