Chemical ID: 5540288

Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccncc3)S2)C
Chemical ID:
5540288
Name [?]:
2-(3,4-dimethylphenyl)imino-3-methyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccncc3)S2)C
InChi [?]:
InChI=1/C18H17N3OS/c1-12-4-5-15(10-13(12)2)20-18-21(3)17(22)16(23-18)11-14-6-8-19-9-7-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,23,3,4,17,21,18,20,6,15,2,7,16,5,14,12,10,19,9,11,13,22/E:(6,7)(8,9)/rA:23nCCCCCCCCNCNCOCCCCCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2477
Area:509.219
Solvation:-2.48281
Coulombic:-29.0158
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:323.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):4.22

Name Annotations

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Descriptor Annotations

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