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Chemical ID: 5931157
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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