Chemical ID: 6233651

CCOc1ccccc1C(=O)N=c2c(cc3c(n2C(C)C)nc4ccccn4c3=O)C(=O)OCC
Chemical ID:
6233651
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C(=O)N=c2c(cc3c(n2C(C)C)nc4ccccn4c3=O)C(=O)OCC
InChi [?]:
InChI=1/C26H26N4O5/c1-5-34-20-12-8-7-11-17(20)24(31)28-23-19(26(33)35-6-2)15-18-22(30(23)16(3)4)27-21-13-9-10-14-29(21)25(18)32/h7-16H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,20,21,2,34,7,6,25,26,8,5,24,27,15,19,9,16,14,4,23,17,13,10,29,31,22,12,28,18,11,30,32,3,33/E:(3,4)/rA:35nCCOCCCCCCCONCCCCCNCCCNCCCCCNCOCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;w12;s13;d14;s15;d16;s13s17;s18;s19;s19;s17;d22;s23;d24;s25;d26;s23s27;s16s28;d29;s14;d31;s31;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.4994
Area:641.86
Solvation:-4.54715
Coulombic:-71.8587
Bond Count [?]
All:38
Single:26
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:474.509
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.33
LogP (Chemaxon):3.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue