Chemical ID: 6150216

CCc1ccccc1NC(=O)CC2C(=O)N(C(=NCC)S2)CC
Chemical ID:
6150216
Name [?]:
2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-(2-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CC2C(=O)N(C(=NCC)S2)CC
InChi [?]:
InChI=1/C17H23N3O2S/c1-4-12-9-7-8-10-13(12)19-15(21)11-14-16(22)20(6-3)17(23-14)18-5-2/h7-10,14H,4-6,11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,23,2,19,22,5,6,4,7,12,3,8,13,10,14,17,18,9,16,11,15,21/rA:23cCCCCCCCCNCOCCCONCNCCSCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;s13s17;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.3373
Area:547.016
Solvation:-3.33809
Coulombic:-42.1626
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:333.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.95
LogP (Chemaxon):2.66

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