Chemical ID: 7267834

Cc1ccc(cc1)Cc2cnc(s2)N3C(=O)C(SC3=N)c4ccccc4
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

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Descriptor Annotations

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