Chemical ID: 7132100

COc1ccc(c(c1)OC)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
Chemical ID:
7132100
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-3-(3-hydroxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
InChi [?]:
InChI=1/C18H15NO5S/c1-23-14-7-6-11(15(10-14)24-2)8-16-17(21)19(18(22)25-16)12-4-3-5-13(20)9-12/h3-10,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,21,20,22,5,4,11,24,8,6,19,23,3,7,12,13,16,15,25,14,17,2,9,18/rA:25nCOCCCCCCOCCCCONCOSCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO5S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.33895
Area:549.059
Solvation:-5.38752
Coulombic:-58.0198
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:357.381
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.57
LogP (Chemaxon):2.96

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