Chemical ID: 5870309

CC(=O)Nc1nc(cs1)c2cccc(c2)NC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
5870309
Name [?]:
N-[3-(2-acetamidothiazol-4-yl)phenyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2cccc(c2)NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C21H21N3O5S/c1-12(25)22-21-24-16(11-30-21)13-6-5-7-15(8-13)23-20(26)14-9-17(27-2)19(29-4)18(10-14)28-3/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,30,28,12,11,13,15,24,20,8,2,10,19,14,7,23,21,22,17,5,4,16,6,3,18,25,29,27,9/E:(2,3)(9,10)(17,18)(27,28)/rA:30nCCONCNCCSCCCCCCNCOCCCCCCOCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.92264
Area:652.135
Solvation:-8.38074
Coulombic:-66.4109
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.475
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.43
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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