[4-[(Z)-2-(cyclohexanecarbonylamino)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]prop-1-enyl]-2-methoxyphenyl] acetate
AlkaPlorer ID: AK404631
Synonym: None
IUPAC Name: [4-[(Z)-2-(cyclohexanecarbonylamino)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]prop-1-enyl]-2-methoxyphenyl] acetate
Structure
SMILES: COC1=CC(/C=C(\NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)C2=CC=CC(=O)N2C3)=CC=C1OC(C)=O
InChI: InChI=1S/C30H35N3O6/c1-19(34)39-26-12-11-20(15-27(26)38-2)14-24(31-29(36)22-7-4-3-5-8-22)30(37)32-16-21-13-23(18-32)25-9-6-10-28(35)33(25)17-21/h6,9-12,14-15,21-23H,3-5,7-8,13,16-18H2,1-2H3,(H,31,36)/b24-14-/t21-,23+/m1/s1
InChIKey: HUINUEJLAVVRHE-IBPFXZHGSA-N
Reference
PubChem CID: 92694942
Source
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Properties Information
Molecule Weight: 533.6250000000003
TPSA?: 106.94000000000004
MolLogP?: 3.4655000000000022
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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