N-[(E)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexanecarboxamide

AlkaPlorer ID: AK549219

Synonym: None

IUPAC Name: N-[(E)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexanecarboxamide

Structure

SMILES: COC1=CC(/C=C(/NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)C2=CC=CC(=O)N2C3)=CC(OC)=C1OC

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InChI: InChI=1S/C30H37N3O6/c1-37-25-14-19(15-26(38-2)28(25)39-3)13-23(31-29(35)21-8-5-4-6-9-21)30(36)32-16-20-12-22(18-32)24-10-7-11-27(34)33(24)17-20/h7,10-11,13-15,20-22H,4-6,8-9,12,16-18H2,1-3H3,(H,31,35)/b23-13+/t20-,22+/m1/s1

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InChIKey: VMNCNWIVQFVYOA-MBIGCVILSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 535.6410000000003

TPSA: 99.10000000000002

MolLogP: 3.557400000000003

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information