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Chemical ID: 5983954
Chemical ID:
5983954
Name [?]:
3,5-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C24H28N4O5S/c1-6-14(2)20(25-21(29)16-11-18(32-4)13-19(12-16)33-5)22(30)26-24-28-27-23(34-24)15-7-9-17(31-3)10-8-15/h7-14,20H,6H2,1-5H3,(H,25,29)(H,26,28,30)
InChi Info:
AuxInfo=1/1/N:1,4,21,32,34,2,15,19,16,18,30,26,28,3,14,25,17,29,27,5,23,6,12,9,22,8,11,10,24,7,20,31,33,13/E:(4,5)(7,8)(9,10)(11,12)(18,19)(32,33)/rA:34cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s27;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N4O5S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1751 |
Area: | 739.216 |
Solvation: | -7.30531 |
Coulombic: | -68.7988 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 484.569 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.85 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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