1-[4-[4-[(5-Cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]-2-methylphenyl]phenyl]ethanone

HCID 71521240

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1418013-76-9
Standard SMILES: CC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)cc1
InChIKey: XASLGWVCKWTIDZ-UHFFFAOYSA-N
Molecular formula: C28H28N4O2S
Average molar mass: 484.6 g/mol
Monoisotopic mass: 484.19329732

Names & identifiers

Preferred name: 1-[4-[4-[(5-Cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]-2-methylphenyl]phenyl]ethanone
IUPAC: 1-[4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]-2-methylphenyl]phenyl]ethanone

Names & synonyms

CHEMBL2315424DTXSID601106207BDBM504249161418013-76-9Ethanone, 1-[4a(2)-[[5-(cyclopentylthio)-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]methoxy]-2a(2)-methyl[1,1a(2)-biphenyl]-4-yl]-

Database identifiers

CAS: 1418013-76-9
PubChem CID: 71521240
DTXSID: DTXSID601106207
ChEMBL: CHEMBL2315424

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 682

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…