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
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
InChIKey: PXUALOWHEHOKSO-SOXOQJGTSA-N
Reference
PubChem CID: 5387252
CAS: 63079-71-0
LOTUS: LTS0053134
SuperNatural Ⅲ: SN0298031-01
NPASS: NPC34551
Source
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
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