Chemical ID: 4206554

CN1C(=O)C(=Cc2ccc(c(c2)OC)OCCCOc3ccccc3OC)SC1=S
Chemical ID:
4206554
Name [?]:
5-[[3-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)OC)OCCCOc3ccccc3OC)SC1=S
InChi [?]:
InChI=1/C22H23NO5S2/c1-23-21(24)20(30-22(23)29)14-15-9-10-18(19(13-15)26-3)28-12-6-11-27-17-8-5-4-7-16(17)25-2/h4-5,7-10,13-14H,6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,14,23,22,17,24,21,8,9,18,16,12,6,7,25,20,10,11,5,3,29,2,4,26,13,19,15,30,28/rA:30nCNCOCCCCCCCCOCOCCCOCCCCCCOCSCS/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s5;s2s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO5S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.62355
Area:691.067
Solvation:-8.65313
Coulombic:-47.4429
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:445.554
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.12
LogP (Chemaxon):3.72

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Descriptor Annotations

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