Chemical ID: 4683047

c1ccc2c(c1)nnn2CNC(=O)c3ccco3
Chemical ID:
4683047
Name [?]:
N-(benzotriazol-1-ylmethyl)furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
InChi [?]:
InChI=1/C12H10N4O2/c17-12(11-6-3-7-18-11)13-8-16-10-5-2-1-4-9(10)14-15-16/h1-7H,8H2,(H,13,17)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,3,15,17,10,5,4,14,12,11,7,8,9,13,18/rA:18nCCCCCCNNNCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N4O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.82655
Area:430.155
Solvation:-2.92734
Coulombic:-35.2323
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.234
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.0
LogP (Chemaxon):1.56

Name Annotations

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Descriptor Annotations

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