Chemical ID: 5931660

CCCOC(=O)C1CSC(N1C(=O)C2CCCCC2)c3ccccc3Cl
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

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Descriptor Annotations

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