Chemical ID: 4819839

c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCCl)Cl
Chemical ID:
4819839
Name [?]:
3-chloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-propanamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCCl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c14-6-5-12(18)17-13-16-8-10(19-13)7-9-3-1-2-4-11(9)15/h1-4,8H,5-7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,7,9,5,8,4,14,11,18,19,10,13,15,12/rA:19nCCCCCCCCCNCSNCOCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.45812
Area:500.723
Solvation:-3.05995
Coulombic:-26.1687
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.219
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.45
LogP (Chemaxon):3.6

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