Chemical ID: 4701856

CN1C(=O)C(C(=O)N(C1=O)C)CC(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
4701856
Name [?]:
5-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CN1C(=O)C(C(=O)N(C1=O)C)CC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2N2O4/c1-17-12(20)8(13(21)18(2)14(17)22)6-11(19)7-3-4-9(15)10(16)5-7/h3-5,8H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,16,17,20,12,15,5,18,19,13,3,6,9,22,21,2,8,14,4,7,10/E:(1,2)(12,13)(17,18)(20,21)/rA:22nCNCOCCONCOCCCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s6;s2s8;d9;s8;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12Cl2N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.56782
Area:512.104
Solvation:-4.23479
Coulombic:-48.6871
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:343.162
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.17
LogP (Chemaxon):1.5

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Descriptor Annotations

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