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Chemical ID: 6150216
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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