Chemical ID: 6034375

CC(C)(C)c1ccc(cc1)C2N(CCS2)C(=O)Cc3ccc(cc3)OC
Chemical ID:
6034375
Name [?]:
2-(4-methoxyphenyl)-1-[2-(4-tert-butylphenyl)thiazolidin-3-yl]-ethanone
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2N(CCS2)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H27NO2S/c1-22(2,3)18-9-7-17(8-10-18)21-23(13-14-26-21)20(24)15-16-5-11-19(25-4)12-6-16/h5-12,21H,13-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,26,20,24,7,9,6,10,21,23,13,14,18,19,8,5,22,16,11,2,12,17,25,15/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26cCCCCCCCCCCCNCCSCOCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s11s14;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.4993
Area:592.611
Solvation:-4.31598
Coulombic:-26.2256
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.521
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.33
LogP (Chemaxon):4.98

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Descriptor Annotations

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