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Chemical ID: 5999708
Chemical ID:
5999708
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H24ClN3O3/c1-3-5-16(23)20(10-4-2)11-17(24)21-12-18(25)22(13-21)15-8-6-14(19)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,21,23,20,24,7,10,14,18,22,19,4,11,15,25,6,13,17,5,12,16/E:(6,7)(8,9)/rA:25nCCCCONCCCCCONCCONCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;d15;s15;s13s17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8255 |
Area: | 603.48 |
Solvation: | -4.26151 |
Coulombic: | -48.7685 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 365.854 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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