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Chemical ID: 5461522
Chemical ID:
5461522
Name [?]:
3,5-dimethoxy-N-[2-methyl-1-(thiazol-2-ylcarbamoyl)propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)Nc1nccs1)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H21N3O4S/c1-10(2)14(16(22)20-17-18-5-6-25-17)19-15(21)11-7-12(23-3)9-13(8-11)24-4/h5-10,14H,1-4H3,(H,19,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,25,10,11,21,17,19,2,16,20,18,4,14,5,8,9,13,7,15,6,22,24,12/E:(1,2)(3,4)(7,8)(12,13)(23,24)/rA:25cCCCCCONCNCCSNCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s4;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s18;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.46473 |
Area: | 577.224 |
Solvation: | -5.96587 |
Coulombic: | -60.8667 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 363.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.75 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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