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Chemical ID: 5541658
Chemical ID:
5541658
Name [?]:
5-benzylidene-2-phenylimino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H18N2OS/c1-2-13-21-18(22)17(14-15-9-5-3-6-10-15)23-19(21)20-16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,21,11,13,20,22,10,14,19,23,3,8,9,18,7,5,16,17,4,6,15/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCNCOCCCCCCCCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;s4s15;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6476 |
Area: | 499.474 |
Solvation: | -1.83923 |
Coulombic: | -27.4503 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.425 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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