Chemical ID: 5931635

CCCCOC(=O)C1CSC(N1C(=O)c2ccc(cc2)C)c3ccccc3Cl
Chemical ID:
5931635
Name [?]:
butyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-thiazolidine-4-carboxylate
SMILES [?]:
CCCCOC(=O)C1CSC(N1C(=O)c2ccc(cc2)C)c3ccccc3Cl
InChi [?]:
InChI=1/C22H24ClNO3S/c1-3-4-13-27-22(26)19-14-28-21(17-7-5-6-8-18(17)23)24(19)20(25)16-11-9-15(2)10-12-16/h5-12,19,21H,3-4,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,24,25,23,26,17,19,16,20,4,9,18,15,22,27,8,13,11,6,28,12,14,7,5,10/E:(9,10)(11,12)/rA:28cCCCCOCOCCSCNCOCCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s11;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClNO3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.5166
Area:615.012
Solvation:-2.85871
Coulombic:-41.3686
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.95
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.0
LogP (Chemaxon):5.45

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Descriptor Annotations

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