Chemical ID: 6468564

CCCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccccc3
Chemical ID:
6468564
Name [?]:
2-phenylimino-3-propyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C18H17N3OS/c1-2-12-21-17(22)16(13-14-8-10-19-11-9-14)23-18(21)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,19,23,10,14,11,13,3,8,9,18,7,5,16,12,17,4,6,15/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCNCOCCCCCNCCSCNCCCCCC/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:C18H17N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.99365
Area:498.206
Solvation:-2.46149
Coulombic:-30.1111
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:323.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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