Chemical ID: 4597289

CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(cc2)OC)SC1=S
Chemical ID:
4597289
Name [?]:
propyl 4-[5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate
SMILES [?]:
CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(cc2)OC)SC1=S
InChi [?]:
InChI=1/C18H21NO4S2/c1-3-11-23-16(20)5-4-10-19-17(21)15(25-18(19)24)12-13-6-8-14(22-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,8,7,16,20,17,19,9,3,14,15,18,13,5,11,24,10,6,12,21,4,25,23/E:(6,7)(8,9)/rA:25nCCCOCOCCCNCOCCCCCCCCOCSCS/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO4S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3354
Area:617.016
Solvation:-4.08999
Coulombic:-44.4853
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:379.496
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):3.37

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Descriptor Annotations

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