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Chemical ID: 4671356
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
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Experimental Annotations
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Descriptor Annotations
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