Chemical ID: 6738849

c1ccc(c(c1)CN2CCN(C2=O)CC(=O)NCc3cccs3)F
Chemical ID:
6738849
Name [?]:
2-[3-[(2-fluorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
c1ccc(c(c1)CN2CCN(C2=O)CC(=O)NCc3cccs3)F
InChi [?]:
InChI=1/C17H18FN3O2S/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-6,9H,7-8,10-12H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,20,3,9,10,22,18,7,14,5,19,4,15,12,24,17,8,11,16,13,23/rA:24nCCCCCCCNCCNCOCCONCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FN3O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.5055
Area:551.499
Solvation:-4.28197
Coulombic:-51.9306
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.408
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.24
LogP (Chemaxon):1.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue