BRN 1041398

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

CAS: 50332-37-1

Molecular Formula	`C22H21NO4`
Molecular Weight	363.4 g/mol
LogP	4.5
Topological Polar Surface Area	60.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	363.14706
Heavy Atoms	27
Complexity	546.0

Chemical Identifiers

CAS Number	50332-37-1
SMILES	`COC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5`
InChIKey	`YCFCSJJQQJMSCC-UHFFFAOYSA-N`

📖 Product Overview

BRN 1041398 (CAS: 50332-37-1) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.4 g/mol. Its IUPAC systematic name is 13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl-(4-methoxyphenyl)methanone. LogP 4.5 Topological Polar Surface Area 60.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 363.14706 Heavy Atoms 27 Complexity 546.0 InChI Key: YCFCSJJQQJMSCC-UHFFFAOYSA-N. SMILES: COC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5.

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