Chemical ID: 7139982

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
7139982
Name [?]:
5-benzylidene-2-(4-ethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-2-22-15-10-8-14(9-11-15)19-18-20-17(21)16(23-18)12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,22,6,8,5,9,16,17,7,4,15,13,11,10,12,14,3,23/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1163
Area:528.149
Solvation:-3.08739
Coulombic:-37.1763
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.43
LogP (Chemaxon):4.44

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Descriptor Annotations

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