Chemical ID: 5931157

CCCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)C3CCCCC3
Chemical ID:
5931157
Name [?]:
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-N-propyl-thiazolidine-4-carboxamide
SMILES [?]:
CCCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)C3CCCCC3
InChi [?]:
InChI=1/C20H26Cl2N2O2S/c1-2-10-23-18(25)17-12-27-20(13-6-4-3-5-7-13)24(17)19(26)15-9-8-14(21)11-16(15)22/h8-9,11,13,17,20H,2-7,10,12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,27,16,15,3,18,8,22,17,14,19,7,5,12,10,21,20,4,11,6,13,9/E:(4,5)(6,7)/rA:27cCCCNCOCCSCNCOCCCCCCClClCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s10;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.5598
Area:595.502
Solvation:-3.32773
Coulombic:-40.9486
Bond Count [?]
All:29
Single:24
Double:5
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.404
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.75
LogP (Chemaxon):4.48

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Descriptor Annotations

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