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Chemical ID: 7145520
Chemical ID:
7145520
Name [?]:
3-(3-chlorobenzoyl)-2-(p-tolyl)thiazolidine-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)C2N(C(CS2)C(=O)[O-])C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H16ClNO3S/c1-11-5-7-12(8-6-11)17-20(15(10-24-17)18(22)23)16(21)13-3-2-4-14(19)9-13/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,19,21,3,7,4,6,23,11,2,5,18,22,10,16,8,13,24,9,17,14,15,12/E:(5,6)(7,8)(22,23)/rA:24cCCCCCCCCNCCSCOO-COCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;s10;d13;s13;s9;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClNO3S- |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -33.3448 |
Area: | 501.034 |
Solvation: | -45.8707 |
Coulombic: | -18.0409 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.835 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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