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Chemical ID: 7668669
Chemical ID:
7668669
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCC4)C#N)c5cccc(c5Cl)Cl)C(=O)C1)C
InChi [?]:
InChI=1/C26H24Cl2N2O2S/c1-26(2)11-19-23(20(31)12-26)16(15-7-5-8-18(27)24(15)28)10-22(32)30(19)25-17(13-29)14-6-3-4-9-21(14)33-25/h5,7-8,16H,3-4,6,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,18,17,24,19,23,25,16,7,3,32,20,13,22,6,12,26,4,30,14,8,5,27,11,2,29,28,21,10,31,9,15/E:(1,2)/rA:33cCCCCCCCCONCCCCSCCCCCNCCCCCCClClCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s4s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s12;t20;s6;s22;d23;s24;d25;d22s26;s27;s26;s5;d30;s2s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24Cl2N2O2S |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0319 |
Area: | 653.892 |
Solvation: | -3.31545 |
Coulombic: | -27.679 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.4 |
LogP (Chemaxon): | None |
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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