Chemical ID: 7668669

CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCC4)C#N)c5cccc(c5Cl)Cl)C(=O)C1)C
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

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