EINECS 225-796-9

N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide

CAS: 5084-12-8

Molecular Formula	`C38H45N5O3S`
Molecular Weight	651.9 g/mol
LogP	11.2
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	14
Exact Mass	651.32434
Heavy Atoms	47
Complexity	977.0

Chemical Identifiers

CAS Number	5084-12-8
SMILES	`CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O)C(C)(C)CC`
InChIKey	`CFRUNFQXALDGBM-UHFFFAOYSA-N`

📖 Product Overview

EINECS 225-796-9 (CAS: 5084-12-8) is a chemical compound with molecular formula C38H45N5O3S and molecular weight 651.9 g/mol. Its IUPAC systematic name is N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide. LogP 11.2 Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 14 Exact Mass 651.32434 Heavy Atoms 47 Complexity 977.0 InChI Key: CFRUNFQXALDGBM-UHFFFAOYSA-N. SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O)C(C)(C)CC.

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