63079-71-0

AlkaPlorer ID: AK014070

Synonym: '91279-96-8'

IUPAC Name: (2S)-3-methoxy-2-propan-2-yl-1-[(E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-2H-pyrrol-5-one

Structure

SMILES: COC1=CC(=O)N(C(=O)/C=C(\C[C@H](C)C(Cl)(Cl)Cl)OC)[C@H]1C(C)C

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InChI: InChI=1S/C16H22Cl3NO4/c1-9(2)15-12(24-5)8-14(22)20(15)13(21)7-11(23-4)6-10(3)16(17,18)19/h7-10,15H,6H2,1-5H3/b11-7+/t10-,15-/m0/s1

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InChIKey: PXUALOWHEHOKSO-SOXOQJGTSA-N

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Properties Information

Molecule Weight: 398.7140000000001

TPSA: 55.84

MolLogP: 3.836800000000003

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information