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Chemical ID: 6001127
Chemical ID:
6001127
Name [?]:
2-[allyl-(2,2-diphenylacetyl)-amino]-N-thiazol-2-yl-acetamide
SMILES [?]:
C=CCN(CC(=O)Nc1nccs1)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H21N3O2S/c1-2-14-25(16-19(26)24-22-23-13-15-28-22)21(27)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-13,15,20H,1,14,16H2,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,20,26,19,21,25,27,18,22,24,28,11,3,12,5,17,23,6,16,14,9,10,8,4,7,15,13/E:(3,4)(5,6,7,8)(9,10,11,12)(17,18)/rA:28nCCCNCCONCNCCSCOCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s4;d14;s14;s16;s17;d18;s19;d20;d17s21;s16;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2497 |
Area: | 582.208 |
Solvation: | -5.3055 |
Coulombic: | -44.4143 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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