Chemical ID: 6465043

CCC(C)N1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)OC)SC1=O
Chemical ID:
6465043
Name [?]:
methyl 2-[4-[(2,4-dioxo-3-sec-butyl-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate
SMILES [?]:
CCC(C)N1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)OC)SC1=O
InChi [?]:
InChI=1/C19H23NO6S/c1-5-12(3)20-18(22)16(27-19(20)23)10-13-7-8-14(15(9-13)25-6-2)26-11-17(21)24-4/h7-10,12H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,4,24,2,17,11,12,15,9,20,3,10,13,14,8,21,6,26,5,22,7,27,23,16,19,25/rA:27cCCCCNCOCCCCCCCCOCCOCCOOCSCO/rB:s1;s2;s3;s3;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;s20;d21;s21;s23;s8;s5s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO6S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.62878
Area:615.26
Solvation:-6.75272
Coulombic:-61.1881
Bond Count [?]
All:28
Single:21
Double:7
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:393.455
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.51
LogP (Chemaxon):2.71

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Descriptor Annotations

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