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Chemical ID: 7140192
Chemical ID:
7140192
Name [?]:
5-[(2-allyloxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OCC=C)S2
InChi [?]:
InChI=1/C20H18N2O3S/c1-3-12-25-16-10-6-4-8-14(16)13-18-19(23)22-20(26-18)21-15-9-5-7-11-17(15)24-2/h3-11,13H,1,12H2,2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:25,1,24,18,6,19,5,17,7,20,4,23,15,16,8,21,3,14,12,10,9,11,13,2,22,26/rA:26nCOCCCCCCNCNCOCCCCCCCCOCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99779 |
Area: | 588.264 |
Solvation: | -4.7088 |
Coulombic: | -45.9664 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.54 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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