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Chemical ID: 7140004
Chemical ID:
7140004
Name [?]:
2-(2-ethylphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C19H18N2OS/c1-3-15-6-4-5-7-16(15)20-19-21-18(22)17(23-19)12-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,6,4,7,18,20,17,21,15,19,16,3,8,14,12,10,9,11,13,23/E:(8,9)(10,11)/rA:23nCCCCCCCCNCNCOCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2OS |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3775 |
Area: | 526.846 |
Solvation: | -1.79365 |
Coulombic: | -30.9713 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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