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Chemical ID: 6468988
Chemical ID:
6468988
Name [?]:
2-(3,4-dimethylphenyl)imino-3-ethyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C19H19N3OS/c1-4-22-18(23)17(12-15-7-9-20-10-8-15)24-19(22)21-16-6-5-13(2)14(3)11-16/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,19,18,9,13,10,12,22,7,20,21,8,17,6,4,15,11,16,3,5,14/E:(7,8)(9,10)/rA:24nCCNCOCCCCCNCCSCNCCCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s6;s3s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5138 |
Area: | 518.873 |
Solvation: | -2.45803 |
Coulombic: | -29.2717 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.28 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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