Chemical ID: 5754997

COc1cc(ccc1OCC(=O)O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
Chemical ID:
5754997
Name [?]:
2-[4-[[2-(2-chlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
InChi [?]:
InChI=1/C19H15ClN2O5S/c1-26-15-8-11(6-7-14(15)27-10-17(23)24)9-16-18(25)22-19(28-16)21-13-5-3-2-4-12(13)20/h2-9H,10H2,1H3,(H,23,24)(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,6,7,4,14,10,5,26,21,8,3,15,11,16,19,27,20,18,12,13,17,2,9,28/E:(23,24)/rA:28nCOCCCCCCOCCOOCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s5;w14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s26;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.77737
Area:626.484
Solvation:-6.88471
Coulombic:-69.5065
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:418.852
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.66
LogP (Chemaxon):3.91

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