Compound C21H20F3NO6

2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

CAS: 86436-46-6

Molecular Formula	`C21H20F3NO6`
Molecular Weight	439.4 g/mol
LogP	1.7
Topological Polar Surface Area	94.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	439.12427
Heavy Atoms	31
Complexity	818.0

Chemical Identifiers

CAS Number	86436-46-6
SMILES	`COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F`
InChIKey	`BXGLTIXFXLUVOH-ZDUSSCGKSA-N`

📖 Product Overview

Compound C21H20F3NO6 (CAS: 86436-46-6) is a chemical compound with molecular formula C21H20F3NO6 and molecular weight 439.4 g/mol. Its IUPAC systematic name is 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide. LogP 1.7 Topological Polar Surface Area 94.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 439.12427 Heavy Atoms 31 Complexity 818.0 InChI Key: BXGLTIXFXLUVOH-ZDUSSCGKSA-N. SMILES: COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F.

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