Chemical ID: 4301585

c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
4301585
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2OS/c19-15-7-6-13(9-16(15)20)8-14-11-21-18(24-14)22-17(23)10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,16,22,7,13,4,17,14,20,21,8,11,24,23,12,10,9,15/E:(2,3)(4,5)/rA:24nCCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9738
Area:587.776
Solvation:-3.7206
Coulombic:-27.3036
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:377.288
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):5.2

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