Chemical ID: 4603066

CCN1C(=O)C(=CN(c2ccccc2)C(=O)C)SC1=O
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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