Chemical ID: 6889769

CCCCOc1ccc(cc1OC)C2C3=C(CCCC3=O)Nc4n2nnn4
Chemical ID:
6889769
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C3=C(CCCC3=O)Nc4n2nnn4
InChi [?]:
InChI=1/C19H23N5O3/c1-3-4-10-27-15-9-8-12(11-16(15)26-2)18-17-13(6-5-7-14(17)25)20-19-21-22-23-24(18)19/h8-9,11,18H,3-7,10H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,18,17,19,8,7,4,10,9,16,20,6,11,15,14,23,22,27,26,25,24,21,12,5/rA:27cCCCCOCCCCCCOCCCCCCCCONCNNNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;s17;s18;s15s19;d20;s16;s22;s14s23;s24;d25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O3
All Atoms:50
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.47853
Area:569.113
Solvation:-5.7493
Coulombic:-39.4673
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.418
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):2.18

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