Chemical ID: 5191171

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCCCl
Chemical ID:
5191171
Name [?]:
4-chloro-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCCCl
InChi [?]:
InChI=1/C15H16Cl2N2OS/c1-10-4-5-11(8-13(10)17)7-12-9-18-15(21-12)19-14(20)3-2-6-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,3,4,20,9,6,11,2,5,10,7,16,13,21,8,12,15,17,14/rA:21nCCCCCCCClCCCNCSNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16Cl2N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5282
Area:561.451
Solvation:-3.50804
Coulombic:-25.8855
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.272
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.03
LogP (Chemaxon):4.32

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Descriptor Annotations

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