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Chemical ID: 5931660
Chemical ID:
5931660
Name [?]:
propyl 2-(2-chlorophenyl)-3-cyclohexylcarbonyl-thiazolidine-4-carboxylate
SMILES [?]:
CCCOC(=O)C1CSC(N1C(=O)C2CCCCC2)c3ccccc3Cl
InChi [?]:
InChI=1/C20H26ClNO3S/c1-2-12-25-20(24)17-13-26-19(15-10-6-7-11-16(15)21)22(17)18(23)14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,22,23,15,19,21,24,3,8,14,20,25,7,12,10,5,26,11,13,6,4,9/E:(4,5)(8,9)/rA:26cCCCOCOCCSCNCOCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s10;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26ClNO3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4196 |
Area: | 571.112 |
Solvation: | -2.85824 |
Coulombic: | -39.3627 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.944 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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