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Chemical ID: 5931772
Chemical ID:
5931772
Name [?]:
N-butyl-2-(2-chlorophenyl)-3-(2-methylpropanoyl)thiazolidine-4-carboxamide
SMILES [?]:
CCCCNC(=O)C1CSC(N1C(=O)C(C)C)c2ccccc2Cl
InChi [?]:
InChI=1/C18H25ClN2O2S/c1-4-5-10-20-16(22)15-11-24-18(21(15)17(23)12(2)3)13-8-6-7-9-14(13)19/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,3,20,21,19,22,4,9,15,18,23,8,6,13,11,24,5,12,7,14,10/E:(2,3)/rA:24cCCCCNCOCCSCNCOCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s15;s11;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8945 |
Area: | 567.815 |
Solvation: | -3.30093 |
Coulombic: | -40.2631 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.922 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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