Chemical ID: 7005264

c1cc(ccc1Cc2cnc(s2)NC(=O)CCCl)Br
Chemical ID:
7005264
Name [?]:
N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-3-chloro-propanamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)CCCl)Br
InChi [?]:
InChI=1/C13H12BrClN2OS/c14-10-3-1-9(2-4-10)7-11-8-16-13(19-11)17-12(18)5-6-15/h1-4,8H,5-7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,7,9,6,3,8,14,11,19,18,10,13,15,12/E:(1,2)(3,4)/rA:19nCCCCCCCCCNCSNCOCCClBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrClN2OS
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.825
Area:514.614
Solvation:-3.04035
Coulombic:-25.7488
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.67
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.62
LogP (Chemaxon):3.88

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