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Chemical ID: 4410584
Chemical ID:
4410584
Name [?]:
2-(2,5-dioxo-3-phenyl-imidazolidin-1-yl)-N-(1-naphthyl)acetamide
SMILES [?]:
c1ccc(cc1)N2CC(=O)N(C2=O)CC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C21H17N3O3/c25-19(22-18-12-6-8-15-7-4-5-11-17(15)18)13-24-20(26)14-23(21(24)27)16-9-2-1-3-10-16/h1-12H,13-14H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,25,20,27,21,3,5,24,19,14,8,22,4,23,18,15,9,12,17,7,11,16,10,13/E:(2,3)(9,10)/rA:27nCCCCCCNCCONCOCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s7s11;d12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89073 |
Area: | 562.179 |
Solvation: | -4.16374 |
Coulombic: | -56.3627 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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