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Chemical ID: 6216606
Chemical ID:
6216606
Name [?]:
N-[3-[2-(3,5-dimethoxybenzoyl)aminothiazol-4-yl]phenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2cccc(c2)c3csc(n3)NC(=O)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C27H25N3O6S/c1-33-20-9-17(10-21(13-20)34-2)25(31)28-19-7-5-6-16(8-19)24-15-37-27(29-24)30-26(32)18-11-22(35-3)14-23(12-18)36-4/h5-15H,1-4H3,(H,28,31)(H,29,30,32)
InChi Info:
AuxInfo=1/1/N:1,10,35,37,16,17,15,19,4,6,33,29,8,31,21,18,5,28,14,3,7,32,30,20,11,26,23,13,24,25,12,27,2,9,34,36,22/E:(1,2)(3,4)(9,10)(11,12)(20,21)(22,23)(33,34)(35,36)/rA:37nCOCCCCCCOCCONCCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s21;s22;s20d23;s23;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s30;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25N3O6S |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5758 |
Area: | 780.813 |
Solvation: | -8.94451 |
Coulombic: | -74.942 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 519.57 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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