Chemical ID: 7356778

CC(C(=O)Nc1ncc(s1)Cc2ccccc2Cl)Cl
Chemical ID:
7356778
Name [?]:
2-chloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-propanamide
SMILES [?]:
CC(C(=O)Nc1ncc(s1)Cc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c1-8(14)12(18)17-13-16-7-10(19-13)6-9-4-2-3-5-11(9)15/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,11,8,2,12,9,17,3,6,19,18,7,5,4,10/rA:19cCCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;s12;d13;s14;d15;d12s16;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2N2OS
All Atoms:31
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.19564
Area:494.554
Solvation:-3.16823
Coulombic:-27.0476
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.219
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.38
LogP (Chemaxon):3.96

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