Chemical ID: 4344032

c1cc(c(cc1Cl)Cl)Cc2cnc(s2)NC(=O)C3CCCCC3
Chemical ID:
4344032
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)Cc2cnc(s2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C17H18Cl2N2OS/c18-13-7-6-12(15(19)9-13)8-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,23,2,1,9,5,11,18,3,6,10,4,16,13,7,8,12,15,17,14/E:(2,3)(4,5)/rA:23nCCCCCCClClCCCNCSNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18Cl2N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.3703
Area:564.711
Solvation:-2.74748
Coulombic:-27.3207
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.309
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):5.23

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Descriptor Annotations

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