Chemical ID: 4447954

CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2C)C)CC
Chemical ID:
4447954
Name [?]:
N-(2,3-dimethylphenyl)-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2C)C)CC
InChi [?]:
InChI=1/C17H23N3O2S/c1-5-18-17-20(6-2)16(22)14(23-17)10-15(21)19-13-9-7-8-11(3)12(13)4/h7-9,14H,5-6,10H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,21,20,2,22,16,17,15,10,18,19,14,8,11,6,4,3,13,5,12,7,9/rA:23cCCNCNCOCSCCONCCCCCCCCCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.215
Area:543.681
Solvation:-3.37703
Coulombic:-41.6051
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:333.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.92
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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