882865-51-2
8-(4-CHLOROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
Name8-(4-CHLOROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
pro_formulaC22 H16 Cl N3 O3
1Identification
【Name】
8-(4-CHLOROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
【CAS】
【MDL】
MFCD08282550
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H16 Cl N3 O3
【pro_molWeight】
405.839
【Inchi】
InChI=1S/C22H16ClN3O3/c23-14-10-8-13(9-11-14)20(27)19-18-17(16-7-4-12-24-26(16)19)21(28)25(22(18)29)15-5-2-1-3-6-15/h1-12,16-19H
【InChIKey】
InChIKey=WJPVALWHXGUUEI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)c5ccc(cc5)Cl
【MOL File】
8-(4-CHLOROBENZOYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-(4-CHLOROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE.cml