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Chemical ID: 7141377
Chemical ID:
7141377
Name [?]:
2-(4-ethylphenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C17H15N3OS/c1-2-12-5-7-14(8-6-12)19-17-20-16(21)15(22-17)10-13-4-3-9-18-11-13/h3-11H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,4,8,5,7,19,15,21,3,16,6,14,12,10,20,9,11,13,22/E:(5,6)(7,8)/rA:22nCCCCCCCCNCNCOCCCCCCNCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3OS |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.237 |
Area: | 507.979 |
Solvation: | -2.46246 |
Coulombic: | -33.7691 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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