Chemical ID: 5819307

COc1cc(ccc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)Cc3ccccc3
Chemical ID:
5819307
Name [?]:
2-[4-[(3-benzyl-2,4-dioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)Cc3ccccc3
InChi [?]:
InChI=1/C20H17NO6S/c1-26-16-9-14(7-8-15(16)27-12-18(22)23)10-17-19(24)21(20(25)28-17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,6,7,4,14,22,10,23,5,8,3,15,11,16,19,18,12,13,17,20,2,9,21/E:(3,4)(5,6)(22,23)/rA:28nCOCCCCCCOCCOOCCCONCOSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s5;w14;s15;d16;s16;s18;d19;s15s19;s18;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.99735
Area:604.971
Solvation:-7.12693
Coulombic:-69.6934
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:399.418
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.23
LogP (Chemaxon):2.89

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