Chemical ID: 3860933

Cc1ccccc1C(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
Chemical ID:
3860933
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C23H26N2O4S/c1-16-8-5-6-9-18(16)22(26)25(12-7-13-27-2)23-24-20(15-30-23)19-14-17(28-3)10-11-21(19)29-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,30,28,4,5,12,3,6,24,25,11,13,22,19,2,23,7,21,18,26,8,16,17,10,9,14,29,27,20/rA:30nCCCCCCCCONCCCOCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s10;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s26;s27;s23;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.76084
Area:652.764
Solvation:-6.55826
Coulombic:-45.6111
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.41
LogP (Chemaxon):4.06

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