Chemical ID: 5682939

CC(=O)NC1=NN2C(C=C(N=C2N1)c3ccccc3)c4ccccc4
Chemical ID:
5682939
Name [?]:
N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,8-trien-8-yl)acetamide
SMILES [?]:
CC(=O)NC1=NN2C(C=C(N=C2N1)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,23,16,18,22,24,15,19,21,25,9,2,14,20,10,8,5,12,4,11,13,6,7,3/E:(4,5)(6,7)(8,9)(10,11)/rA:25cCCONCNNCCCNCNCCCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;s7;s8;d9;s10;s7d11;s5s12;s10;s14;d15;s16;d17;d14s18;s8;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N5O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.53413
Area:541.695
Solvation:-4.00824
Coulombic:-45.2486
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.371
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.07
LogP (Chemaxon):3.29

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Descriptor Annotations

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