Chemical ID: 4671356

CC(=O)Nc1ccc(c2c1n(cn2)C(=O)C)OC(=O)C
Chemical ID:
4671356
Name [?]:
(7-acetamido-1-acetyl-benzoimidazol-4-yl) acetate
SMILES [?]:
CC(=O)Nc1ccc(c2c1n(cn2)C(=O)C)OC(=O)C
InChi [?]:
InChI=1/C13H13N3O4/c1-7(17)15-10-4-5-11(20-9(3)19)12-13(10)16(6-14-12)8(2)18/h4-6H,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,20,6,7,12,2,14,18,5,8,9,10,13,4,11,3,15,19,17/rA:20nCCONCCCCCCNCNCOCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s9d12;s11;d14;s14;s8;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.88871
Area:445.274
Solvation:-4.24315
Coulombic:-54.403
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.26
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.27
LogP (Chemaxon):-0.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue