Chemical ID: 6889857

CCCCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4n2nnn4
Chemical ID:
6889857
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4n2nnn4
InChi [?]:
InChI=1/C18H21N5O2/c1-2-3-11-25-13-9-7-12(8-10-13)17-16-14(5-4-6-15(16)24)19-18-20-21-22-23(17)18/h7-10,17H,2-6,11H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,15,17,8,10,7,11,4,9,6,14,18,13,12,21,20,25,24,23,22,19,5/E:(7,8)(9,10)/rA:25cCCCCOCCCCCCCCCCCCCONCNNNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;s16;s13s17;d18;s14;s20;s12s21;s22;d23;d21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N5O2
All Atoms:46
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.74105
Area:534.552
Solvation:-3.62276
Coulombic:-33.3314
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.392
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.07
LogP (Chemaxon):2.43

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