BRN 1033852

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

CAS: 50332-36-0

Molecular Formula	`C22H21NO3`
Molecular Weight	347.4 g/mol
LogP	4.9
Topological Polar Surface Area	51.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	347.15213
Heavy Atoms	26
Complexity	529.0

Chemical Identifiers

CAS Number	50332-36-0
SMILES	`CC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5`
InChIKey	`PIFRCHBZYGGBTB-UHFFFAOYSA-N`

📖 Product Overview

BRN 1033852 (CAS: 50332-36-0) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.4 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-methylphenyl)methanone. LogP 4.9 Topological Polar Surface Area 51.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 347.15213 Heavy Atoms 26 Complexity 529.0 InChI Key: PIFRCHBZYGGBTB-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5.

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