Chemical ID: 5191155

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)CCCCl
Chemical ID:
5191155
Name [?]:
4-chloro-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-butanamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)CCCCl
InChi [?]:
InChI=1/C14H14Cl2N2OS/c15-6-2-5-13(19)18-14-17-9-12(20-14)8-10-3-1-4-11(16)7-10/h1,3-4,7,9H,2,5-6,8H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,17,19,4,8,10,3,5,9,15,12,20,7,11,14,16,13/rA:20nCCCCCCClCCCNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14Cl2N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1597
Area:546.797
Solvation:-3.51026
Coulombic:-25.9788
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.245
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):3.86

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Descriptor Annotations

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