Chemical ID: 7132213

CC(=C1C(=O)N(C(=O)S1)c2cccc(c2)O)c3ccc(cc3)OC
Chemical ID:
7132213
Name [?]:
3-(3-hydroxyphenyl)-5-[1-(4-methoxyphenyl)ethylidene]thiazolidine-2,4-dione
SMILES [?]:
CC(=C1C(=O)N(C(=O)S1)c2cccc(c2)O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15NO4S/c1-11(12-6-8-15(23-2)9-7-12)16-17(21)19(18(22)24-16)13-4-3-5-14(20)10-13/h3-10,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,12,11,13,18,22,19,21,15,2,17,10,14,20,3,4,7,6,16,5,8,23,9/E:(6,7)(8,9)/rA:24nCCCCONCOSCCCCCCOCCCCCCOC/rB:s1;w2;s3;d4;s4;s6;d7;s3s7;s6;s10;d11;s12;d13;d10s14;s14;s2;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO4S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.89176
Area:532.122
Solvation:-4.4113
Coulombic:-51.4035
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:341.382
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):3.37

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