Chemical ID: 5999793

CC(C)(C)c1ccc(cc1)C(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)F)C4CC4
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

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Descriptor Annotations

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