Chemical ID: 5461522

CC(C)C(C(=O)Nc1nccs1)NC(=O)c2cc(cc(c2)OC)OC
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

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Descriptor Annotations

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