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Details

Stereochemistry ACHIRAL
Molecular Formula C27H24N8O6
Molecular Weight 556.5295
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL 1,1'-(4-METHYL-M-PHENYLENEDICARBAMOYL)-BIS(2-BENZIMIDAZOLECARBAMATE)

SMILES

COC(=O)NC1=NC2=CC=CC=C2N1C(=O)NC3=CC=C(C)C(NC(=O)N4C(NC(=O)OC)=NC5=CC=CC=C45)=C3

InChI

InChIKey=HWDMQGIQFUEULN-UHFFFAOYSA-N
InChI=1S/C27H24N8O6/c1-15-12-13-16(28-24(36)34-20-10-6-4-8-17(20)29-22(34)32-26(38)40-2)14-19(15)31-25(37)35-21-11-7-5-9-18(21)30-23(35)33-27(39)41-3/h4-14H,1-3H3,(H,28,36)(H,31,37)(H,29,32,38)(H,30,33,39)

HIDE SMILES / InChI

Molecular Formula C27H24N8O6
Molecular Weight 556.5295
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
7QO5DJ7D39
Record Status Validated (UNII)
Record Version