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Chemical ID: 5908275
Chemical ID:
5908275
Name [?]:
N-butyl-N-[[3-(3-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-2-methyl-propanamide
SMILES [?]:
CCCCN(CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl)C(=O)C(C)C
InChi [?]:
InChI=1/C19H26ClN3O3/c1-4-5-9-21(19(26)14(2)3)11-17(24)22-12-18(25)23(13-22)16-8-6-7-15(20)10-16/h6-8,10,14H,4-5,9,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,3,17,18,16,4,20,6,10,14,24,19,15,7,11,22,21,5,9,13,8,12,23/E:(2,3)/rA:26nCCCCNCCONCCONCCCCCCCClCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s9s13;s13;s15;d16;s17;d18;d15s19;s19;s5;d22;s22;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7789 |
Area: | 615.309 |
Solvation: | -4.6038 |
Coulombic: | -48.7541 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.881 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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