Chemical ID: 6889837

CCCOc1ccc(cc1)C2C3=C(CC(CC3=O)(C)C)Nc4n2nnn4
Chemical ID:
6889837
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2C3=C(CC(CC3=O)(C)C)Nc4n2nnn4
InChi [?]:
InChI=1/C19H23N5O2/c1-4-9-26-13-7-5-12(6-8-13)17-16-14(10-19(2,3)11-15(16)25)20-18-21-22-23-24(17)18/h5-8,17H,4,9-11H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,7,9,6,10,3,14,16,8,5,13,17,12,11,22,15,21,26,25,24,23,18,4/E:(2,3)(5,6)(7,8)/rA:26cCCCOCCCCCCCCCCCCCOCCNCNNNN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;s15;s12s16;d17;s15;s15;s13;s21;s11s22;s23;d24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O2
All Atoms:49
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.86488
Area:536.369
Solvation:-3.54434
Coulombic:-33.7368
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):2.8

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