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Chemical ID: 5541360
Chemical ID:
5541360
Name [?]:
5-[(2-allyloxyphenyl)methylene]-3-methyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccccc2OCC=C)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C20H18N2O2S/c1-3-13-24-17-12-8-7-9-15(17)14-18-19(23)22(2)20(25-18)21-16-10-5-4-6-11-16/h3-12,14H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:16,1,15,23,22,24,9,10,8,21,25,11,14,6,7,20,12,5,3,18,19,2,4,13,17/E:(5,6)(10,11)/rA:25nCNCOCCCCCCCCOCCCSCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8687 |
Area: | 552.779 |
Solvation: | -2.9508 |
Coulombic: | -35.4512 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.76 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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