Chemical ID: 6035070

COc1ccc(cc1)CC(=O)N2CCSC2c3ccccc3C(F)(F)F
Chemical ID:
6035070
Name [?]:
2-(4-methoxyphenyl)-1-[2-[2-(trifluoromethyl)phenyl]thiazolidin-3-yl]-ethanone
SMILES [?]:
COc1ccc(cc1)CC(=O)N2CCSC2c3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C19H18F3NO2S/c1-25-14-8-6-13(7-9-14)12-17(24)23-10-11-26-18(23)15-4-2-3-5-16(15)19(20,21)22/h2-9,18H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,5,7,4,8,13,14,9,6,3,17,22,10,16,23,24,25,26,12,11,2,15/E:(6,7)(8,9)(20,21,22)/rA:26cCOCCCCCCCCONCCSCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18F3NO2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.63312
Area:535.216
Solvation:-4.74728
Coulombic:-43.8674
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.44
LogP (Chemaxon):4.24

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Descriptor Annotations

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