Chemical ID: 5541658

CCCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccccc3
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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