Chemical ID: 5931155

CCCCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)C3CCCCC3
Chemical ID:
5931155
Name [?]:
N-butyl-2-cyclohexyl-3-(2,4-dichlorobenzoyl)-thiazolidine-4-carboxamide
SMILES [?]:
CCCCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)C3CCCCC3
InChi [?]:
InChI=1/C21H28Cl2N2O2S/c1-2-3-11-24-19(26)18-13-28-21(14-7-5-4-6-8-14)25(18)20(27)16-10-9-15(22)12-17(16)23/h9-10,12,14,18,21H,2-8,11,13H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,25,27,24,28,17,16,4,19,9,23,18,15,20,8,6,13,11,22,21,5,12,7,14,10/E:(5,6)(7,8)/rA:28cCCCCNCOCCSCNCOCCCCCCClClCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s11;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28Cl2N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.206
Area:622.494
Solvation:-3.35634
Coulombic:-41.2683
Bond Count [?]
All:30
Single:25
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.431
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.32
LogP (Chemaxon):4.88

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Descriptor Annotations

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