Chemical ID: 4396290

CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=O)N(C(=S)S2)C
Chemical ID:
4396290
Name [?]:
ethyl 2-[2-ethoxy-4-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetate
SMILES [?]:
CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=O)N(C(=S)S2)C
InChi [?]:
InChI=1/C17H19NO5S2/c1-4-21-13-8-11(9-14-16(20)18(3)17(24)25-14)6-7-12(13)23-10-15(19)22-5-2/h6-9H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,25,2,15,7,8,5,17,11,6,9,4,18,12,19,22,21,13,20,3,14,10,23,24/rA:25nCCOCCCCCCOCCOOCCCCCONCSSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s6;w17;s18;d19;s19;s21;d22;s18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO5S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.18457
Area:609.08
Solvation:-6.04242
Coulombic:-51.69
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:381.469
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.94
LogP (Chemaxon):2.56

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