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Chemical ID: 7005264
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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