Chemical ID: 7367259

c1ccc(cc1)Oc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
Chemical ID:
7367259
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H17ClN2O2S/c24-18-10-6-16(7-11-18)14-21-15-25-23(29-21)26-22(27)17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,24,28,10,12,25,27,9,13,22,19,23,11,26,4,8,20,14,17,29,18,16,15,7,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClN2O2S
All Atoms:46
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5194
Area:657.434
Solvation:-3.91642
Coulombic:-37.1311
Bond Count [?]
All:32
Single:20
Double:12
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.912
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.05
LogP (Chemaxon):5.99

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