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Chemical ID: 5984005
Chemical ID:
5984005
Name [?]:
4-methoxy-N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H26N4O4S/c1-5-14(2)19(24-20(28)15-9-11-17(30-3)12-10-15)21(29)25-23-27-26-22(32-23)16-7-6-8-18(13-16)31-4/h6-14,19H,5H2,1-4H3,(H,24,28)(H,25,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,32,21,2,16,15,17,26,30,27,29,19,3,25,14,28,18,5,23,6,12,9,22,8,11,10,24,7,31,20,13/E:(9,10)(11,12)/rA:32cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N4O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5004 |
Area: | 703.102 |
Solvation: | -6.07716 |
Coulombic: | -63.0092 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 454.543 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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