Chemical ID: 7140850

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
Chemical ID:
7140850
Name [?]:
4-[[2-(2,3-dimethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
InChi [?]:
InChI=1/C19H16N2O3S/c1-11-4-3-5-15(12(11)2)20-19-21-17(22)16(25-19)10-13-6-8-14(9-7-13)18(23)24/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,21,18,20,15,2,7,16,19,6,14,12,22,10,9,11,13,23,24,25/E:(6,7)(8,9)(23,24)/rA:25nCCCCCCCCNCNCOCCCCCCCCCOOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2443
Area:557.765
Solvation:-2.69987
Coulombic:-57.2495
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):4.27

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