Chemical ID: 5275880

CCCn1c2c(cc(c1=NC(=O)C)C#N)c(=O)n3cccc(c3n2)C
Chemical ID:
5275880
Name [?]:
None
SMILES [?]:
CCCn1c2c(cc(c1=NC(=O)C)C#N)c(=O)n3cccc(c3n2)C
InChi [?]:
InChI=1/C18H17N5O2/c1-4-7-22-16(20-12(3)24)13(10-19)9-14-17(22)21-15-11(2)6-5-8-23(15)18(14)25/h5-6,8-9H,4,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,13,2,20,21,3,19,7,14,22,11,8,6,23,9,5,16,15,10,24,4,18,12,17/rA:25nCCCNCCCCCNCOCCNCONCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s4s8;w9;s10;d11;s11;s8;t14;s6;d16;s16;s18;d19;s20;d21;s18s22;s5d23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N5O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.728
Area:512.602
Solvation:-3.08706
Coulombic:-45.8245
Bond Count [?]
All:27
Single:18
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:335.36
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.68
LogP (Chemaxon):2.46

Name Annotations

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Descriptor Annotations

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