Chemical ID: 5587542

c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccco2
Chemical ID:
5587542
Name [?]:
N-(benzylideneaminocarbamoylmethyl)furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccco2
InChi [?]:
InChI=1/C14H13N3O3/c18-13(10-15-14(19)12-7-4-8-20-12)17-16-9-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,19,7,12,4,16,10,14,13,8,9,11,15,20/E:(2,3)(5,6)/rA:20nCCCCCCCNNCOCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.7009
Area:486.405
Solvation:-4.45923
Coulombic:-49.0121
Bond Count [?]
All:21
Single:13
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:271.271
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):1.12

Name Annotations

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Descriptor Annotations

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