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Chemical ID: 6738849
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
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Experimental Annotations
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Descriptor Annotations
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