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Chemical ID: 5999643
Chemical ID:
5999643
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-isobutyl-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)N2CC(=O)N(C2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H26ClN3O3/c1-16(2)12-25(23(30)18-6-4-17(3)5-7-18)13-21(28)26-14-22(29)27(15-26)20-10-8-19(24)9-11-20/h4-11,16H,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:13,14,1,3,7,4,6,26,28,25,29,11,15,19,23,12,2,5,27,24,16,20,8,30,10,18,22,17,21,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCCCONCCCCCCONCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s10;s15;d16;s16;s18;s19;d20;s20;s18s22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26ClN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1319 |
Area: | 661.198 |
Solvation: | -4.39806 |
Coulombic: | -51.4521 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 427.924 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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