Chemical ID: 5191161

c1cc(ccc1Cc2cnc(s2)NC(=O)CCCCl)Cl
Chemical ID:
5191161
Name [?]:
4-chloro-N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-butanamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)CCCCl)Cl
InChi [?]:
InChI=1/C14H14Cl2N2OS/c15-7-1-2-13(19)18-14-17-9-12(20-14)8-10-3-5-11(16)6-4-10/h3-6,9H,1-2,7-8H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:17,16,1,5,2,4,18,7,9,6,3,8,14,11,19,20,10,13,15,12/E:(3,4)(5,6)/rA:20nCCCCCCCCCNCSNCOCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14Cl2N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1329
Area:545.982
Solvation:-3.51666
Coulombic:-25.9907
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.245
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):3.86

Name Annotations

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Descriptor Annotations

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