BRN 4585391

4-fluoro-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide

CAS: 72593-35-2

Molecular Formula	`C23H25FN4O`
Molecular Weight	392.5 g/mol
LogP	2.1
Topological Polar Surface Area	51.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	392.20123
Heavy Atoms	29
Complexity	581.0

Chemical Identifiers

CAS Number	72593-35-2
SMILES	`C1CN2CC3=C(CC2CN1CCNC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3`
InChIKey	`QSRPHANIRVEEAC-UHFFFAOYSA-N`

📖 Product Overview

BRN 4585391 (CAS: 72593-35-2) is a chemical compound with molecular formula C23H25FN4O and molecular weight 392.5 g/mol. Its IUPAC systematic name is 4-fluoro-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide. LogP 2.1 Topological Polar Surface Area 51.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 392.20123 Heavy Atoms 29 Complexity 581.0 InChI Key: QSRPHANIRVEEAC-UHFFFAOYSA-N. SMILES: C1CN2CC3=C(CC2CN1CCNC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3.

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