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Chemical ID: 5931155
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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