Chemical ID: 6264785

CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3cc(ccc3OC)OC
Chemical ID:
6264785
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-dimethylamino-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C20H21N3O3S/c1-23(2)14-7-5-13(6-8-14)19(24)22-20-21-17(12-27-20)16-11-15(25-3)9-10-18(16)26-4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,25,6,8,5,9,21,22,19,16,7,4,20,18,15,23,10,13,14,12,2,11,26,24,17/E:(1,2)(5,6)(7,8)/rA:27nCNCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.37667
Area:608.295
Solvation:-5.83071
Coulombic:-46.6657
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.465
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):4.2

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Descriptor Annotations

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