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Chemical ID: 4603066
Chemical ID:
4603066
Name [?]:
N-[(3-ethyl-2,4-dioxo-thiazolidin-5-ylidene)methyl]-N-phenyl-acetamide
SMILES [?]:
CCN1C(=O)C(=CN(c2ccccc2)C(=O)C)SC1=O
InChi [?]:
InChI=1/C14H14N2O3S/c1-3-15-13(18)12(20-14(15)19)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,12,11,13,10,14,7,15,9,6,4,19,3,8,16,5,20,18/E:(5,6)(7,8)/rA:20nCCNCOCCNCCCCCCCOCSCO/rB:s1;s2;s3;d4;s4;w6;s7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s6;s3s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47206 |
Area: | 442.528 |
Solvation: | -3.59113 |
Coulombic: | -41.6754 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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