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Chemical ID: 7703611
Chemical ID:
7703611
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C25H24ClN3O4/c1-3-32-23-14-19(9-12-22(23)33-16-18-7-10-20(26)11-8-18)15-27-29-25(31)24(30)28-21-6-4-5-17(2)13-21/h4-15H,3,16H2,1-2H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,29,30,28,13,17,7,14,16,8,32,5,19,11,31,12,6,15,27,9,4,24,22,18,20,26,21,25,23,3,10/E:(7,8)(10,11)/rA:33nCCOCCCCCCOCCCCCCCClCNNCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24ClN3O4 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3864 |
Area: | 760.38 |
Solvation: | -6.62308 |
Coulombic: | -60.2158 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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