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Chemical ID: 5999658
Chemical ID:
5999658
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-isopropyl-4-tert-butyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C25H30ClN3O3/c1-17(2)28(24(32)18-6-8-19(9-7-18)25(3,4)5)15-22(30)27-14-23(31)29(16-27)21-12-10-20(26)11-13-21/h6-13,17H,14-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,30,31,32,24,28,25,27,16,18,15,19,9,5,13,2,23,26,17,14,6,10,21,29,20,8,4,12,7,11,22/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)(12,13)/rA:32nCCCNCCONCCONCCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s17;s4;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30ClN3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8978 |
Area: | 684.234 |
Solvation: | -4.20803 |
Coulombic: | -51.9744 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 455.977 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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