Chemical ID: 4847108

Cc1ccccc1N2C(=O)C(=CC(=Cc3ccccc3)C)SC2=S
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

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