Chemical ID: 4831307

CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
Chemical ID:
4831307
Name [?]:
None
SMILES [?]:
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
InChi [?]:
InChI=1/C15H15N5O2/c1-3-17-14(21)9-8-10-13(19(2)12(9)16)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,13,14,12,15,7,6,8,11,20,9,4,17,21,3,10,19,16,5,18/rA:22nCCNCOCCCCNCCCCCNCONCNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N5O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.32196
Area:476.198
Solvation:-2.58299
Coulombic:-61.5147
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:297.312
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.3
LogP (Chemaxon):1.46

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