Chemical ID: 6233960

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4)Cc5ccco5
Chemical ID:
6233960
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4)Cc5ccco5
InChi [?]:
InChI=1/C26H20N4O5/c1-2-34-26(33)20-15-19-22(27-21-12-6-7-13-29(21)25(19)32)30(16-18-11-8-14-35-18)23(20)28-24(31)17-9-4-3-5-10-17/h3-15H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,27,26,28,13,14,33,25,29,32,12,15,34,7,30,24,31,8,6,11,9,20,22,17,4,10,21,16,19,23,18,5,3,35/E:(4,5)(9,10)/rA:35nCCOCOCCCCNCCCCCNCONCNCOCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s19;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20N4O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.6769
Area:651.668
Solvation:-4.61482
Coulombic:-71.9641
Bond Count [?]
All:39
Single:25
Double:14
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:468.461
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):3.71

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