Chemical ID: 5495139

CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2)OC)CC
Chemical ID:
5495139
Name [?]:
2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2)OC)CC
InChi [?]:
InChI=1/C16H21N3O3S/c1-4-17-16-19(5-2)15(21)13(23-16)10-14(20)18-11-7-6-8-12(9-11)22-3/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,21,2,22,16,15,17,19,10,14,18,8,11,6,4,3,13,5,12,7,20,9/rA:23cCCNCNCOCSCCONCCCCCCOCCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.6896
Area:541.963
Solvation:-4.85947
Coulombic:-48.007
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:335.422
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.17
LogP (Chemaxon):2.2

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Descriptor Annotations

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