882865-66-9
8-(2-CHLOROBENZOYL)-10-PHENYL-11A,11B-DIHYDRO-8H-PYRROLO(3',4':3,4)PYRROLO(2,1-A)PHTHALAZINE-9,11(8AH,10H)-DIONE
Name8-(2-CHLOROBENZOYL)-10-PHENYL-11A,11B-DIHYDRO-8H-PYRROLO(3',4':3,4)PYRROLO(2,1-A)PHTHALAZINE-9,11(8AH,10H)-DIONE
pro_formulaC26 H18 Cl N3 O3
1Identification
【Name】
8-(2-CHLOROBENZOYL)-10-PHENYL-11A,11B-DIHYDRO-8H-PYRROLO(3',4':3,4)PYRROLO(2,1-A)PHTHALAZINE-9,11(8AH,10H)-DIONE
【CAS】
【MDL】
MFCD08282563
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H18 Cl N3 O3
【pro_molWeight】
455.899
【Inchi】
InChI=1S/C26H18ClN3O3/c27-19-13-7-6-12-18(19)24(31)23-21-20(22-17-11-5-4-8-15(17)14-28-30(22)23)25(32)29(26(21)33)16-9-2-1-3-10-16/h1-14,20-23H
【InChIKey】
InChIKey=VITMRZMGGLEFEX-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)C3C4c5ccccc5C=NN4C(C3C2=O)C(=O)c6ccccc6Cl
【MOL File】
8-(2-CHLOROBENZOYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-(2-CHLOROBENZOYL)-10-PHENYL-11A,11B-DIHYDRO-8H-PYRROLO(3',4':3,4)PYRROLO(2,1-A)PHTHALAZINE-9,11(8AH,10H)-DIONE.cml