Chemical ID: 7140060

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
7140060
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C18H16N2O3S/c1-2-11-3-6-13(7-4-11)19-18-20-17(23)16(24-18)10-12-5-8-14(21)15(22)9-12/h3-10,21-22H,2H2,1H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,17,5,7,18,21,15,3,16,6,19,20,14,12,10,9,11,23,22,13,24/E:(3,4)(6,7)/rA:24nCCCCCCCCNCNCOCCCCCCCCOOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.62225
Area:544.314
Solvation:-3.98561
Coulombic:-61.2269
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):4.65

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