[4-(Furan-2-carbonyl)piperazin-1-yl](4-{4-[4-(morpholine-4-sulfonyl)-phenyl]pyrimidin-2-ylamino}phenyl)methanone

HCID 21906006

Notes Reactions

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Basic information

Standard SMILES: O=C(c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIKey: MWOVNYZLZGAZHC-UHFFFAOYSA-N
Molecular formula: C30H30N6O6S
Average molar mass: 602.7 g/mol

Names & identifiers

Preferred name: [4-(Furan-2-carbonyl)piperazin-1-yl](4-{4-[4-(morpholine-4-sulfonyl)-phenyl]pyrimidin-2-ylamino}phenyl)methanone
IUPAC: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone

Names & synonyms

SCHEMBL4071019MWOVNYZLZGAZHC-UHFFFAOYSA-N[4-(furan-2-carbonyl)piperazin-1-yl](4-{4-[4-(morpholine-4-sulfonyl)-phenyl]pyrimidin-2-ylamino}phenyl)methanone

Database identifiers

PubChem CID: 21906006

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 147 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 43
Formal charge: 0
Complexity: 1,040

Related reactions

4 records

New reaction record

HRID 33462As productuspto-grants-2008_09

HRID 672748As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1244290As productuspto-grants-2006_10

HRID 2117312As productuspto-grants-2008_10

Compound notes

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