Chemical ID: 4658073

CCOc1ccc(cc1)C=C2C(=O)N(C(=O)S2)Cc3ccc(cc3)C
Chemical ID:
4658073
Name [?]:
5-[(4-ethoxyphenyl)methylene]-3-(p-tolylmethyl)thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N(C(=O)S2)Cc3ccc(cc3)C
InChi [?]:
InChI=1/C20H19NO3S/c1-3-24-17-10-8-15(9-11-17)12-18-19(22)21(20(23)25-18)13-16-6-4-14(2)5-7-16/h4-12H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,21,23,20,24,6,8,5,9,10,18,22,7,19,4,11,12,15,14,13,16,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCCONCOSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5516
Area:560.416
Solvation:-3.45877
Coulombic:-37.4219
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:353.436
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.41

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Descriptor Annotations

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