Chemical ID: 6356526

c1cc(c(cc1c2csc(n2)NC(=O)CCCl)Cl)Cl
Chemical ID:
6356526
Name [?]:
3-chloro-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-propanamide
SMILES [?]:
c1cc(c(cc1c2csc(n2)NC(=O)CCCl)Cl)Cl
InChi [?]:
InChI=1/C12H9Cl3N2OS/c13-4-3-11(18)17-12-16-10(6-19-12)7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,5,8,6,3,4,7,13,10,17,19,18,11,12,14,9/rA:19nCCCCCCCCSCNNCOCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Cl3N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.4726
Area:521.755
Solvation:-2.57129
Coulombic:-26.995
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

Name Annotations

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Descriptor Annotations

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