Chemical ID: 5830893

Cc1ccc(cc1)Nc2nc(cs2)C(=O)NCCc3ccc(c(c3)OC)OC
Chemical ID:
5830893
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(p-tolylamino)thiazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)Nc2nc(cs2)C(=O)NCCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H23N3O3S/c1-14-4-7-16(8-5-14)23-21-24-17(13-28-21)20(25)22-11-10-15-6-9-18(26-2)19(12-15)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,26,3,7,20,4,6,21,18,17,24,12,2,19,5,11,22,23,14,9,16,8,10,15,27,25,13/E:(4,5)(7,8)/rA:28nCCCCCCCNCNCCSCONCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.5778
Area:648.836
Solvation:-5.64309
Coulombic:-55.3689
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.492
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.4
LogP (Chemaxon):3.84

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Descriptor Annotations

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