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Chemical ID: 5234036
Chemical ID:
5234036
Name [?]:
1-(3,4-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]imidazolidine-2,4,5-trione
SMILES [?]:
COc1ccc(cc1OC)CCN2C(=O)C(=O)N(C2=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O5/c1-27-15-6-3-11(9-16(15)28-2)7-8-22-17(24)18(25)23(19(22)26)12-4-5-13(20)14(21)10-12/h3-6,9-10H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,22,23,4,11,12,7,26,6,21,24,25,3,8,14,16,19,28,27,13,18,15,17,20,2,9/rA:28nCOCCCCCCOCCCNCOCONCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;d16;s16;s13s18;d19;s18;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73841 |
Area: | 629.212 |
Solvation: | -5.99188 |
Coulombic: | -61.8916 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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