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Chemical ID: 7267834
Chemical ID:
7267834
Name [?]:
2-imino-5-phenyl-3-[5-(p-tolylmethyl)thiazol-2-yl]-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)N3C(=O)C(SC3=N)c4ccccc4
InChi [?]:
InChI=1/C20H17N3OS2/c1-13-7-9-14(10-8-13)11-16-12-22-20(25-16)23-18(24)17(26-19(23)21)15-5-3-2-4-6-15/h2-10,12,17,21H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,22,26,3,7,4,6,8,10,2,5,21,9,17,15,19,12,20,11,14,16,13,18/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCCCCCCCCCCNCSNCOCSCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s14s18;w19;s17;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3OS2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2021 |
Area: | 580.239 |
Solvation: | -3.30389 |
Coulombic: | -36.2005 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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