4-tert-butyl-N-{5-(4-methylphenyl)-6-[2-(4-(5-tetrazolyl)phenoxy)ethoxy]-pyrimidin-4-yl}benzensulfonamide

HCID 178418242
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Basic information

Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(-c3nnn[nH]3)cc2)cc1
InChIKey
XPNVXINXCGOZIS-UHFFFAOYSA-N
Molecular formula
C30H31N7O4S
Average molar mass
585.7 g/mol
Monoisotopic mass
585.21582367

Names & identifiers

Preferred name
4-tert-butyl-N-{5-(4-methylphenyl)-6-[2-(4-(5-tetrazolyl)phenoxy)ethoxy]-pyrimidin-4-yl}benzensulfonamide
IUPAC
4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]pyrimidin-4-yl]benzenesulfonamide

Names & synonyms

SCHEMBL8662330XPNVXINXCGOZIS-UHFFFAOYSA-N4-tert-butyl-N-{5-(4-methylphenyl)-6-[2-(4-(5-tetrazolyl)phenoxy)ethoxy]-pyrimidin-4-yl}benzensulfonamide

Database identifiers

PubChem CID
19689507

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
153 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
42

Related reactions

2 records
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Linked notes

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