Chemical ID: 4701866

CN1C(=O)C(C(=O)N(C1=O)C)(CC(=O)c2ccc(cc2)Br)CC(=O)c3ccc(cc3)Br
Chemical ID:
4701866
Name [?]:
5,5-bis[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CN1C(=O)C(C(=O)N(C1=O)C)(CC(=O)c2ccc(cc2)Br)CC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C22H18Br2N2O5/c1-25-19(29)22(20(30)26(2)21(25)31,11-17(27)13-3-7-15(23)8-4-13)12-18(28)14-5-9-16(24)10-6-14/h3-10H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,16,20,26,30,17,19,27,29,12,22,15,25,18,28,13,23,3,6,9,5,21,31,2,8,14,24,4,7,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)(25,26)(27,28)(29,30)/rA:31nCNCOCCONCOCCCOCCCCCCBrCCOCCCCCCBr/rB:s1;s2;d3;s3;s5;d6;s6;s2s8;d9;s8;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Br2N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.9671
Area:638.551
Solvation:-4.99673
Coulombic:-57.8953
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:550.197
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.29
LogP (Chemaxon):3.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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