Chemical ID: 7678101

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)Cc4ccccc4C)nn2
Chemical ID:
7678101
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)Cc4ccccc4C)nn2
InChi [?]:
InChI=1/C19H17N5O/c1-13-7-9-16(10-8-13)24-18-17(21-22-24)19(25)23(12-20-18)11-15-6-4-3-5-14(15)2/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,19,21,18,3,7,4,6,16,14,2,22,17,5,10,9,11,15,24,25,13,8,12/E:(7,8)(9,10)/rA:25nCCCCCCCNCCCONCNCCCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;s17;d18;s19;d20;d17s21;s22;s10;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N5O
All Atoms:42
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.8272
Area:523.791
Solvation:-2.2676
Coulombic:-30.1653
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.05
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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