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Chemical ID: 4921451
Chemical ID:
4921451
Name [?]:
2-[2-[4-(anilinocarbamoylmethyl)thiazol-2-yl]thiazol-4-yl]-N'-phenyl-acetohydrazide
SMILES [?]:
c1ccc(cc1)NNC(=O)Cc2csc(n2)c3nc(cs3)CC(=O)NNc4ccccc4
InChi [?]:
InChI=1/C22H20N6O2S2/c29-19(27-25-15-7-3-1-4-8-15)11-17-13-31-21(23-17)22-24-18(14-32-22)12-20(30)28-26-16-9-5-2-6-10-16/h1-10,13-14,25-26H,11-12H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,29,31,3,5,28,32,11,22,13,20,4,27,12,19,9,23,15,17,16,18,7,26,8,25,10,24,14,21/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:32nCCCCCCNNCOCCCSCNCNCCSCCONNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;d17;s18;d19;s17s20;s19;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N6O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.218 |
Area: | 733.273 |
Solvation: | -7.11381 |
Coulombic: | -60.5095 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 464.565 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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