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Chemical ID: 6233869
Chemical ID:
6233869
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccc(cc4)OC)CCCOC
InChi [?]:
InChI=1/C26H26N4O6/c1-4-36-26(33)20-16-19-22(27-21-8-5-6-13-29(21)25(19)32)30(14-7-15-34-2)23(20)28-24(31)17-9-11-18(35-3)12-10-17/h5-6,8-13,16H,4,7,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,31,2,13,14,33,12,25,29,26,28,15,32,34,7,24,27,8,6,11,9,20,22,17,4,10,21,16,19,23,18,5,35,30,3/E:(9,10)(11,12)/rA:36nCCOCOCCCCNCCCCCNCONCNCOCCCCCCOCCCCOC/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;s27;s30;s19;s32;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O6 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4106 |
Area: | 709.682 |
Solvation: | -6.33143 |
Coulombic: | -78.9042 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 490.508 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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