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Chemical ID: 5999789
Chemical ID:
5999789
Name [?]:
N-cyclopropyl-N-[[3-(4-fluorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)F)C4CC4
InChi [?]:
InChI=1/C22H22FN3O3/c1-15-4-2-3-5-19(15)22(29)25(17-10-11-17)13-20(27)24-12-21(28)26(14-24)18-8-6-16(23)7-9-18/h2-9,17H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,22,24,21,25,28,29,15,11,19,2,23,27,20,7,12,16,8,26,14,10,18,13,17,9/E:(6,7)(8,9)(10,11)/rA:29nCCCCCCCCONCCONCCONCCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s14s18;s18;s20;d21;s22;d23;d20s24;s23;s10;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22FN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53881 |
Area: | 590.744 |
Solvation: | -5.22978 |
Coulombic: | -53.4583 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.427 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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