Chemical ID: 6452792

Cc1ccccc1N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)c4ccccc4C
Chemical ID:
6452792
Name [?]:
5-[(3-methoxyphenyl)methylene]-3-(o-tolyl)-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)c4ccccc4C
InChi [?]:
InChI=1/C25H22N2O2S/c1-17-9-4-6-13-21(17)26-25-27(22-14-7-5-10-18(22)2)24(28)23(30-25)16-19-11-8-12-20(15-19)29-3/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,22,4,27,5,26,17,3,28,16,18,6,25,20,14,2,29,15,19,7,24,13,11,9,8,10,12,21,23/rA:30nCCCCCCCNCNCOCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;s10;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.8409
Area:570.042
Solvation:-3.4101
Coulombic:-33.7007
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:5.17
LogP (Chemaxon):6.96

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