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Chemical ID: 4656152
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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