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Chemical ID: 4606899
Chemical ID:
4606899
Name [?]:
3-(4-chlorophenyl)-1-[1,5,5-trimethyl-3-(1-naphthyl)-2-oxo-imidazolidin-4-yl]-urea
SMILES [?]:
CC1(C(N(C(=O)N1C)c2cccc3c2cccc3)NC(=O)Nc4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C23H23ClN4O2/c1-23(2)20(26-21(29)25-17-13-11-16(24)12-14-17)28(22(30)27(23)3)19-10-6-8-15-7-4-5-9-18(15)19/h4-14,20H,1-3H3,(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,30,8,17,16,11,18,12,15,10,25,27,24,28,13,26,23,14,9,3,20,5,2,29,22,19,7,4,21,6/E:(1,2)(11,12)(13,14)/rA:30cCCCNCONCCCCCCCCCCCNCONCCCCCCClC/rB:s1;s2;s3;s4;d5;s2s5;s7;s4;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s3;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23ClN4O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3454 |
Area: | 628.622 |
Solvation: | -3.37016 |
Coulombic: | -62.9802 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 422.907 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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