Chemical ID: 4656152

c1ccc(c(c1)C=C2C(=O)N(C(=S)S2)CN3CCOCC3)O
Chemical ID:
4656152
Name [?]:
5-[(2-hydroxyphenyl)methylene]-3-(morpholinomethyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N(C(=S)S2)CN3CCOCC3)O
InChi [?]:
InChI=1/C15H16N2O3S2/c18-12-4-2-1-3-11(12)9-13-14(19)17(15(21)22-13)10-16-5-7-20-8-6-16/h1-4,9,18H,5-8,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,7,15,5,4,8,9,12,16,11,22,10,19,13,14/E:(5,6)(7,8)/rA:22nCCCCCCCCCONCSSCNCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;s16;s17;s18;s19;s16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.48313
Area:503.276
Solvation:-4.09878
Coulombic:-47.8677
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:336.431
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.01
LogP (Chemaxon):2.53

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