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Chemical ID: 4847108
Chemical ID:
4847108
Name [?]:
5-(2-methyl-3-phenyl-prop-2-enylidene)-3-(o-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N2C(=O)C(=CC(=Cc3ccccc3)C)SC2=S
InChi [?]:
InChI=1/C20H17NOS2/c1-14(12-16-9-4-3-5-10-16)13-18-19(22)21(20(23)24-18)17-11-7-6-8-15(17)2/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:21,1,18,17,19,4,5,3,16,20,6,14,12,13,2,15,7,11,9,23,8,10,24,22/E:(4,5)(9,10)/rA:24nCCCCCCCNCOCCCCCCCCCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;s11;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NOS2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5828 |
Area: | 530.659 |
Solvation: | -1.68369 |
Coulombic: | -21.9339 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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