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Chemical ID: 7343324
Chemical ID:
7343324
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5cc(ccc5[nH]4)OC)CCN3)C
InChi [?]:
InChI=1/C24H24N4O4/c1-12-8-13(2)10-14(9-12)28-23(30)19(22(29)27-24(28)31)21-20-16(6-7-25-21)17-11-15(32-3)4-5-18(17)26-20/h4-5,8-11,21,25-26,29H,6-7H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,32,28,23,24,29,30,3,7,5,21,2,4,6,22,19,20,25,11,18,17,12,9,14,31,26,13,8,16,10,15,27/E:(1,2)(9,10)(12,13)/rA:32cCCCCCCCNCOCCNCOOCCCCCCCCCNOCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s8s13;d14;s12;s11;s17;d18;s19;s20;d21;s22;d23;d20s24;s18s25;s22;s27;s19;s29;s17s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N4O4 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3432 |
Area: | 632.129 |
Solvation: | -5.46001 |
Coulombic: | -80.5345 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 432.472 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.88 |
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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