Chemical ID: 7216814

COc1ccc(cc1)OCc2ccc(o2)c3nc4c5cnn(c5ncn4n3)c6ccccc6
Chemical ID:
7216814
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)OCc2ccc(o2)c3nc4c5cnn(c5ncn4n3)c6ccccc6
InChi [?]:
InChI=1/C24H18N6O3/c1-31-17-7-9-18(10-8-17)32-14-19-11-12-21(33-19)22-27-24-20-13-26-30(16-5-3-2-4-6-16)23(20)25-15-29(24)28-22/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,31,30,32,29,33,4,8,5,7,12,13,20,10,25,28,3,6,11,19,14,16,23,18,24,21,17,27,26,22,2,9,15/E:(3,4)(5,6)(7,8)(9,10)/rA:33nCOCCCCCCOCCCCCOCNCCCNNCNCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;s19;d20;s21;d19s22;s23;d24;s18s25;d16s26;s22;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N6O3
All Atoms:51
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0299
Area:676.929
Solvation:-5.89336
Coulombic:-46.1001
Bond Count [?]
All:38
Single:25
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:438.438
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.71
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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