Chemical ID: 3932210

c1ccc(c(c1)NC(=O)c2ccc3c(c2)nccn3)NC(=O)c4ccccn4
Chemical ID:
3932210
Name [?]:
N-[2-(2-pyridylcarbonylamino)phenyl]quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc3c(c2)nccn3)NC(=O)c4ccccn4
InChi [?]:
InChI=1/C21H15N5O2/c27-20(14-8-9-15-19(13-14)24-12-11-23-15)25-16-5-1-2-6-17(16)26-21(28)18-7-3-4-10-22-18/h1-13H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,6,3,24,11,12,27,18,17,15,10,13,5,4,23,14,8,21,28,19,16,7,20,9,22/rA:28nCCCCCCNCOCCCCCCNCCNNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;s13;d10s14;d14;s16;d17;d13s18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8329
Area:582.994
Solvation:-3.74197
Coulombic:-59.4755
Bond Count [?]
All:31
Single:18
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.376
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):2.42

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