Chemical ID: 6436576

CCN=C1N(C(=O)C(S1)CC(=O)Nc2ccccc2F)CC
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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