[4-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-benzothiazol-2-yl]-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine

HCID 57780681

Notes Reactions

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Basic information

Standard SMILES: COc1cc(Nc2nc3c(s2)CCCC3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIKey: WMDLLEJSMYRXCF-UHFFFAOYSA-N
Molecular formula: C24H23ClN4OS
Average molar mass: 451 g/mol

Names & identifiers

Preferred name: [4-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-benzothiazol-2-yl]-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine
IUPAC: 4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Names & synonyms

SCHEMBL1617063WMDLLEJSMYRXCF-UHFFFAOYSA-N[4-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-benzothiazol-2-yl]-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine

Database identifiers

PubChem CID: 57780681

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 80.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 592

Related reactions

1 records

New reaction record

HRID 2076006As productuspto-grants-2011_04

Compound notes

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