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Chemical ID: 6436576
Chemical ID:
6436576
Name [?]:
2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-(2-fluorophenyl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2ccccc2F)CC
InChi [?]:
InChI=1/C15H18FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)9-13(20)18-11-8-6-5-7-10(11)16/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,17,16,18,15,10,19,14,8,11,6,4,20,3,13,5,12,7,9/rA:22cCCNCNCOCSCCONCCCCCCFCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18FN3O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.96492 |
Area: | 510.447 |
Solvation: | -3.79626 |
Coulombic: | -46.1167 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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