Limazepine G

AlkaPlorer ID: AK050528

Synonym: 'limazepine_G'

IUPAC Name: (6aS)-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Structure

SMILES: C/C=C/C1=CN2C(=O)C3=CC=C(C)C(O)=C3N=C(O)[C@@H]2C1

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InChI: InChI=1S/C16H16N2O3/c1-3-4-10-7-12-15(20)17-13-11(16(21)18(12)8-10)6-5-9(2)14(13)19/h3-6,8,12,19H,7H2,1-2H3,(H,17,20)/b4-3+/t12-/m0/s1

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InChIKey: QVMOQPKRVNMMQP-PCAWENJQSA-N

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Properties Information

Molecule Weight: 284.31500000000005

TPSA: 73.13000000000001

MolLogP: 2.976720000000001

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information