Chemical ID: 5404194

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)C#N
Chemical ID:
5404194
Name [?]:
(3-cyanophenyl)carbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C18H15N3O4/c1-12(22)20-15-7-5-14(6-8-15)18(24)25-11-17(23)21-16-4-2-3-13(9-16)10-19/h2-9H,11H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,7,9,6,10,23,24,14,2,22,8,5,18,15,11,25,4,17,3,16,12,13/E:(5,6)(7,8)/rA:25nCCONCCCCCCCOOCCONCCCCCCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.68414
Area:580.999
Solvation:-4.84083
Coulombic:-62.5416
Bond Count [?]
All:26
Single:16
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.67
LogP (Chemaxon):1.82

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Descriptor Annotations

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