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Chemical ID: 5676471
Chemical ID:
5676471
Name [?]:
2-(3-butyl-2,4,5-trioxo-imidazolidin-1-yl)-N-(2,6-dichlorophenyl)-acetamide
SMILES [?]:
CCCCN1C(=O)C(=O)N(C1=O)CC(=O)Nc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O4/c1-2-3-7-19-13(22)14(23)20(15(19)24)8-11(21)18-12-9(16)5-4-6-10(12)17/h4-6H,2-3,7-8H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,20,19,21,4,13,18,22,14,17,6,8,11,24,23,16,5,10,15,7,9,12/E:(5,6)(9,10)(16,17)/rA:24nCCCCNCOCONCOCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s5s10;d11;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1393 |
Area: | 560.302 |
Solvation: | -3.86822 |
Coulombic: | -67.9494 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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