Chemical ID: 7116985

CCc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
Chemical ID:
7116985
Name [?]:
2-chloro-N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
CCc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-2-10-3-5-11(6-4-10)7-12-9-16-14(19-12)17-13(18)8-15/h3-6,9H,2,7-8H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,9,18,11,3,6,10,16,13,19,12,15,17,14/E:(3,4)(5,6)/rA:19nCCCCCCCCCCCNCSNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2OS
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.84965
Area:501.35
Solvation:-3.6841
Coulombic:-25.6832
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.8
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):3.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue