Chemical ID: 4921451

c1ccc(cc1)NNC(=O)Cc2csc(n2)c3nc(cs3)CC(=O)NNc4ccccc4
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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