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Chemical ID: 7140110
Chemical ID:
7140110
Name [?]:
2-(3,4-dimethylphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-4-7-15(10-13(12)2)20-19-21-18(22)17(24-19)11-14-5-8-16(23-3)9-6-14/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,3,17,21,4,18,20,6,15,2,7,16,5,19,14,12,10,9,11,13,22,24/E:(5,6)(8,9)/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3445 |
Area: | 541.929 |
Solvation: | -3.2037 |
Coulombic: | -36.6142 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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