Chemical ID: 5770117

CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
Chemical ID:
5770117
Name [?]:
N-[4-[2-(1-naphthylamino)thiazol-4-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C22H19N3OS/c1-2-21(26)23-17-12-10-16(11-13-17)20-14-27-22(25-20)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,20,27,21,24,19,8,10,7,11,13,22,9,6,23,18,12,3,15,5,17,16,4,14/E:(10,11)(12,13)/rA:27nCCCONCCCCCCCCSCNNCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7987
Area:594.353
Solvation:-3.06011
Coulombic:-39.6776
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.472
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):5.6

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