Chemical ID: 4708879

Cc1ccc(cc1)C(=O)N2C(CSC2c3ccc(cc3)Cl)C(=O)OC
Chemical ID:
4708879
Name [?]:
methyl 2-(4-chlorophenyl)-3-(4-methylbenzoyl)-thiazolidine-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)C(=O)N2C(CSC2c3ccc(cc3)Cl)C(=O)OC
InChi [?]:
InChI=1/C19H18ClNO3S/c1-12-3-5-13(6-4-12)17(22)21-16(19(23)24-2)11-25-18(21)14-7-9-15(20)10-8-14/h3-10,16,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,3,7,4,6,16,20,17,19,12,2,5,15,18,11,8,14,22,21,10,9,23,24,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCCCCCCONCCSCCCCCCCClCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s11;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClNO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.6375
Area:551.349
Solvation:-3.1462
Coulombic:-40.2924
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.87
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):4.25

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Descriptor Annotations

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