Chemical ID: 6353910

c1cc(c(cc1Cl)Cl)c2csc(n2)NC(=O)CCCl
Chemical ID:
6353910
Name [?]:
3-chloro-N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-propanamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2csc(n2)NC(=O)CCCl
InChi [?]:
InChI=1/C12H9Cl3N2OS/c13-4-3-11(18)17-12-16-10(6-19-12)8-2-1-7(14)5-9(8)15/h1-2,5-6H,3-4H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,5,10,6,3,4,9,15,12,19,7,8,13,14,16,11/rA:19nCCCCCCClClCCSCNNCOCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Cl3N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.2825
Area:516.402
Solvation:-2.62753
Coulombic:-26.7448
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.637
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):4.52

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Descriptor Annotations

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