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Chemical ID: 7082208
Chemical ID:
7082208
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nc(c(s4)C)C)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C26H22N2O5S/c1-12-10-18-19(11-13(12)2)33-23-20(22(18)29)21(16-6-8-17(9-7-16)25(31)32-5)28(24(23)30)26-27-14(3)15(4)34-26/h6-11,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,34,26,30,27,29,3,6,2,7,20,21,25,28,4,5,11,14,12,10,16,31,18,19,15,13,17,32,33,9,22/E:(6,7)(8,9)/rA:34cCCCCCCCCOCCCOCNCOCNCCSCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s20;s14;s25;d26;s27;d28;d25s29;s28;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22N2O5S |
All Atoms: | 56 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9549 |
Area: | 687.989 |
Solvation: | -4.24486 |
Coulombic: | -59.733 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 474.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.25 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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