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Chemical ID: 6168605
Chemical ID:
6168605
Name [?]:
5-[(4-chlorophenyl)methylene]-3-propyl-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)C
InChi [?]:
InChI=1/C20H19ClN2OS/c1-3-12-23-19(24)18(13-15-6-8-16(21)9-7-15)25-20(23)22-17-10-4-14(2)5-11-17/h4-11,13H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,21,23,10,14,11,13,20,24,3,8,22,9,12,19,7,5,17,15,18,4,6,16/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCNCOCCCCCCCCClSCNCCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;s4s16;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2067 |
Area: | 558.681 |
Solvation: | -1.76037 |
Coulombic: | -27.3959 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.896 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.07 |
LogP (Chemaxon): | 6.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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