Compound C27H31N3O4S

acridin-9-yl-[4-(7-amino-7-oxoheptyl)phenyl]azanium;methanesulfonate

CAS: 71798-50-0

Molecular Formula	`C27H31N3O4S`
Molecular Weight	493.6 g/mol
Topological Polar Surface Area	138.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	493.20352
Heavy Atoms	35
Complexity	588.0

Chemical Identifiers

CAS Number	71798-50-0
SMILES	`CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCC(=O)N`
InChIKey	`SATWREXZQTZLER-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H31N3O4S (CAS: 71798-50-0) is a chemical compound with molecular formula C27H31N3O4S and molecular weight 493.6 g/mol. Its IUPAC systematic name is acridin-9-yl-[4-(7-amino-7-oxoheptyl)phenyl]azanium;methanesulfonate. Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 493.20352 Heavy Atoms 35 Complexity 588.0 InChI Key: SATWREXZQTZLER-UHFFFAOYSA-N. SMILES: CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCC(=O)N.

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