Chemical ID: 7145520

Cc1ccc(cc1)C2N(C(CS2)C(=O)[O-])C(=O)c3cccc(c3)Cl
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

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