Chemical ID: 6455727

Cc1cccc(c1)N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)c4cccc(c4)C
Chemical ID:
6455727
Name [?]:
5-[(3-methoxyphenyl)methylene]-3-(m-tolyl)-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)c4cccc(c4)C
InChi [?]:
InChI=1/C25H22N2O2S/c1-17-7-4-10-20(13-17)26-25-27(21-11-5-8-18(2)14-21)24(28)23(30-25)16-19-9-6-12-22(15-19)29-3/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,22,4,26,17,3,27,16,5,25,18,7,29,20,14,2,28,15,6,24,19,13,11,9,8,10,12,21,23/rA:30nCCCCCCCNCNCOCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;s10;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2399
Area:583.889
Solvation:-3.3573
Coulombic:-33.5352
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:414.52
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.59
LogP (Chemaxon):6.96

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