Chemical ID: 7346459

CC(COC)n1c(csc1=Nc2ccc(cc2)OC)c3ccc(cc3)F
Chemical ID:
7346459
Name [?]:
4-(4-fluorophenyl)-3-(2-methoxy-1-methyl-ethyl)-N-(4-methoxyphenyl)-thiazol-2-imine
SMILES [?]:
CC(COC)n1c(csc1=Nc2ccc(cc2)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H21FN2O2S/c1-14(12-24-2)23-19(15-4-6-16(21)7-5-15)13-26-20(23)22-17-8-10-18(25-3)11-9-17/h4-11,13-14H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,21,25,22,24,13,17,14,16,3,8,2,20,23,12,15,7,10,26,11,6,4,18,9/E:(4,5)(6,7)(8,9)(10,11)/rA:26cCCCOCNCCSCNCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s2;s6;d7;s8;s6s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s7;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21FN2O2S
All Atoms:47
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:7.6549
Area:518.332
Solvation:-5.3034
Coulombic:-32.5991
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:372.457
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.1
LogP (Chemaxon):5.26

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