Chemical ID: 5938602

CCN(CC)c1nc(cs1)c2cccc(c2)NC(=O)c3cc(cc(c3)OC)OC
Chemical ID:
5938602
Name [?]:
N-[3-(2-diethylaminothiazol-4-yl)phenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2cccc(c2)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C22H25N3O3S/c1-5-25(6-2)22-24-20(14-29-22)15-8-7-9-17(10-15)23-21(26)16-11-18(27-3)13-19(12-16)28-4/h7-14H,5-6H2,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,27,29,2,4,13,12,14,16,25,21,23,9,11,20,15,24,22,8,18,6,17,7,3,19,26,28,10/E:(1,2)(3,4)(5,6)(11,12)(18,19)(27,28)/rA:29nCCNCCCNCCSCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3373
Area:655.159
Solvation:-5.0417
Coulombic:-48.6049
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.518
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.71
LogP (Chemaxon):4.89

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Descriptor Annotations

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