Chemical ID: 7141541

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S)C
Chemical ID:
7141541
Name [?]:
3-(2,5-dimethylphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S)C
InChi [?]:
InChI=1/C19H17NO2S2/c1-12-8-9-13(2)15(10-12)20-18(21)17(24-19(20)23)11-14-6-4-5-7-16(14)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,20,15,16,14,17,3,4,7,12,2,5,13,6,18,11,9,22,8,10,19,23,21/rA:24nCCCCCCCNCOCCCCCCCCOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11;s8s21;d22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2S2
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.8987
Area:546.7
Solvation:-2.76882
Coulombic:-27.7108
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.97
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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