Chemical ID: 7267932

COc1ccc(c(c1)OC)c2csc(n2)NC3CCCCC3
Chemical ID:
7267932
Name [?]:
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-thiazol-2-amine
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC3CCCCC3
InChi [?]:
InChI=1/C17H22N2O2S/c1-20-13-8-9-14(16(10-13)21-2)15-11-22-17(19-15)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,4,5,8,12,17,3,6,11,7,14,16,15,2,9,13/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCCSCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2S
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.62822
Area:520.092
Solvation:-4.37408
Coulombic:-32.2048
Bond Count [?]
All:24
Single:19
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):4.04

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Descriptor Annotations

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