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Chemical ID: 5472273
Chemical ID:
5472273
Name [?]:
2-(3-benzyl-2,4,5-trioxo-imidazolidin-1-yl)-N-(3,5-dichlorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)CN2C(=O)C(=O)N(C2=O)CC(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl2N3O4/c19-12-6-13(20)8-14(7-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,21,25,7,16,4,22,24,20,17,9,11,14,27,26,19,8,13,18,10,12,15/E:(2,3)(4,5)(7,8)(12,13)(19,20)/rA:27nCCCCCCCNCOCONCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s8s13;d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1469 |
Area: | 609.389 |
Solvation: | -4.0878 |
Coulombic: | -68.1536 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 406.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.54 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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