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Chemical ID: 6233960
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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