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Chemical ID: 5999793
Chemical ID:
5999793
Name [?]:
N-cyclopropyl-N-[[3-(4-fluorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)F)C4CC4
InChi [?]:
InChI=1/C25H28FN3O3/c1-25(2,3)18-6-4-17(5-7-18)24(32)28(20-12-13-20)15-22(30)27-14-23(31)29(16-27)21-10-8-19(26)9-11-21/h4-11,20H,12-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,6,10,25,27,24,28,31,32,18,14,22,8,5,26,30,23,15,19,11,2,29,17,13,21,16,20,12/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:32nCCCCCCCCCCCONCCONCCONCCCCCCCFCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s19;s17s21;s21;s23;d24;s25;d26;d23s27;s26;s13;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28FN3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1889 |
Area: | 651.459 |
Solvation: | -5.09761 |
Coulombic: | -54.1108 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.507 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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