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Chemical ID: 5999777
Chemical ID:
5999777
Name [?]:
N-[[3-(4-fluorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-isopropyl-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)F)C(C)C
InChi [?]:
InChI=1/C22H24FN3O3/c1-15(2)25(22(29)17-6-4-16(3)5-7-17)13-20(27)24-12-21(28)26(14-24)19-10-8-18(23)9-11-19/h4-11,15H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:28,29,1,3,7,4,6,22,24,21,25,15,11,19,27,2,5,23,20,12,16,8,26,14,10,18,13,17,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCONCCONCCONCCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s14s18;s18;s20;d21;s22;d23;d20s24;s23;s10;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24FN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94285 |
Area: | 602.004 |
Solvation: | -5.10724 |
Coulombic: | -53.8397 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.17 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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