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Chemical ID: 5920373
Chemical ID:
5920373
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-2-ethyl-N-methyl-butanamide
SMILES [?]:
CCC(CC)C(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H24ClN3O3/c1-4-13(5-2)18(25)20(3)10-16(23)21-11-17(24)22(12-21)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,21,23,20,24,10,14,18,3,22,19,11,15,6,25,8,13,17,12,16,7/E:(1,2)(4,5)(6,7)(8,9)/rA:25nCCCCCCONCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s8;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: | 10.2238 |
Area: | 577.357 |
Solvation: | -4.21016 |
Coulombic: | -49.1471 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 365.854 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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