BRN 1038244

(4-bromophenyl)-(13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl)methanone

CAS: 50332-33-7

Molecular Formula	`C21H18BrNO3`
Molecular Weight	412.3 g/mol
LogP	5.2
Topological Polar Surface Area	51.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	411.047
Heavy Atoms	26
Complexity	535.0

Chemical Identifiers

CAS Number	50332-33-7
SMILES	`C1CCC2=C(C(C1)C(=O)C3=CC=C(C=C3)Br)C4=CC5=C(C=C4N2)OCO5`
InChIKey	`ADIVJNZKPAKJPI-UHFFFAOYSA-N`

📖 Product Overview

BRN 1038244 (CAS: 50332-33-7) is a chemical compound with molecular formula C21H18BrNO3 and molecular weight 412.3 g/mol. Its IUPAC systematic name is (4-bromophenyl)-(13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl)methanone. LogP 5.2 Topological Polar Surface Area 51.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 411.047 Heavy Atoms 26 Complexity 535.0 InChI Key: ADIVJNZKPAKJPI-UHFFFAOYSA-N. SMILES: C1CCC2=C(C(C1)C(=O)C3=CC=C(C=C3)Br)C4=CC5=C(C=C4N2)OCO5.

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