N-[(6aS,8S)-2-(1,3-benzodioxol-5-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxyacetamide
AlkaPlorer ID: AK576682
Synonym: None
IUPAC Name: N-[(6aS,8S)-2-(1,3-benzodioxol-5-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxyacetamide
Structure
SMILES: COCC(=O)N[C@H]1C[C@H]2C(=O)NC3=CC=C(C4=CC=C5OCOC5=C4)C=C3C(=O)N2C1
InChI: InChI=1S/C22H21N3O6/c1-29-10-20(26)23-14-8-17-21(27)24-16-4-2-12(6-15(16)22(28)25(17)9-14)13-3-5-18-19(7-13)31-11-30-18/h2-7,14,17H,8-11H2,1H3,(H,23,26)(H,24,27)/t14-,17-/m0/s1
InChIKey: XYZSWZUSQLNDLR-YOEHRIQHSA-N
Reference
Phenolic Compounds from the Roots of Jordanian Viper’s Grass, <i>Scorzonera judaica</i>
PubChem CID: 9423702
Source
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Properties Information
Molecule Weight: 423.4250000000002
TPSA？: 106.2
MolLogP？: 1.3801000000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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