Chemical ID: 4268262

CC(C)(C)N1C(=O)C(=NNc2ccc(cc2)Br)C(=O)NC1=O
Chemical ID:
4268262
Name [?]:
5-(4-bromophenyl)aminoimino-1-tert-butyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CC(C)(C)N1C(=O)C(=NNc2ccc(cc2)Br)C(=O)NC1=O
InChi [?]:
InChI=1/C14H15BrN4O3/c1-14(2,3)19-12(21)10(11(20)16-13(19)22)18-17-9-6-4-8(15)5-7-9/h4-7,17H,1-3H3,(H,16,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,15,12,16,14,11,8,18,6,21,2,17,20,10,9,5,19,7,22/E:(1,2,3)(4,5)(6,7)/rA:22nCCCCNCOCNNCCCCCCBrCONCO/rB:s1;s2;s2;s2;s5;d6;s6;w8;s9;s10;s11;d12;s13;d14;d11s15;s14;s8;d18;s18;s5s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15BrN4O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.87661
Area:494.746
Solvation:-2.49202
Coulombic:-60.2729
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:367.198
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.04
LogP (Chemaxon):3.22

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