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Chemical ID: 6000996
Chemical ID:
6000996
Name [?]:
2-[(2,2-diphenylacetyl)-isobutyl-amino]-N-thiazol-2-yl-acetamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1nccs1)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C23H25N3O2S/c1-17(2)15-26(16-20(27)25-23-24-13-14-29-23)22(28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,21H,15-16H2,1-2H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,21,27,20,22,26,28,19,23,25,29,12,13,4,6,2,18,24,7,17,15,10,11,9,5,8,16,14/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(18,19)/rA:29nCCCCNCCONCNCCSCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8263 |
Area: | 629.566 |
Solvation: | -4.91286 |
Coulombic: | -44.1351 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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