Dataset-S1.163
AlkaPlorer ID: AK007390
Synonym: '', 'Heitziamide A', 'heitziamide A', 'ConMedNP.2179'
IUPAC Name: (1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide
Structure
SMILES: CC(C)=CCCC1=CC[C@H](C2=CC=C3OCOC3=C2)[C@@H](C(=O)NCC(C)C)C1
InChI: InChI=1S/C24H33NO3/c1-16(2)6-5-7-18-8-10-20(21(12-18)24(26)25-14-17(3)4)19-9-11-22-23(13-19)28-15-27-22/h6,8-9,11,13,17,20-21H,5,7,10,12,14-15H2,1-4H3,(H,25,26)/t20-,21+/m1/s1
InChIKey: HCTXZDQPRLPYOB-RTWAWAEBSA-N
Source
Properties Information
Molecule Weight: 383.53200000000015
TPSA？: 47.56
MolLogP？: 5.353900000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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