BRN 4603856

4-methylsulfonyl-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: 72593-31-8

Molecular Formula	`C24H28N4O3S`
Molecular Weight	452.6 g/mol
LogP	1.2
Topological Polar Surface Area	93.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	452.1882
Heavy Atoms	32
Complexity	777.0

Chemical Identifiers

CAS Number	72593-31-8
SMILES	`CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN3CC4=C(CC3C2)C5=CC=CC=C5N4`
InChIKey	`DSFIUTPCZYDNCA-UHFFFAOYSA-N`

📖 Product Overview

BRN 4603856 (CAS: 72593-31-8) is a chemical compound with molecular formula C24H28N4O3S and molecular weight 452.6 g/mol. Its IUPAC systematic name is 4-methylsulfonyl-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 1.2 Topological Polar Surface Area 93.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 452.1882 Heavy Atoms 32 Complexity 777.0 InChI Key: DSFIUTPCZYDNCA-UHFFFAOYSA-N. SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN3CC4=C(CC3C2)C5=CC=CC=C5N4.

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