Chemical ID: 4858930

Cc1ccccc1N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
Chemical ID:
4858930
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-3-(o-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C19H17NO3S2/c1-12-7-4-5-9-14(12)20-18(21)16(25-19(20)24)11-13-8-6-10-15(22-2)17(13)23-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,4,5,15,3,14,6,16,12,2,13,7,17,11,18,9,24,8,10,21,19,25,23/rA:25nCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.5905
Area:549.787
Solvation:-4.15417
Coulombic:-34.8967
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.475
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):4.45

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