Chemical ID: 4634468

c1cc(ccc1N2C(=O)C(=CNN3CCOCC3)C(=O)NC2=O)Br
Chemical ID:
4634468
Name [?]:
1-(4-bromophenyl)-5-(morpholinoaminomethylene)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(ccc1N2C(=O)C(=CNN3CCOCC3)C(=O)NC2=O)Br
InChi [?]:
InChI=1/C15H15BrN4O4/c16-10-1-3-11(4-2-10)20-14(22)12(13(21)18-15(20)23)9-17-19-5-7-24-8-6-19/h1-4,9,17H,5-8H2,(H,18,21,23)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,14,18,15,17,11,3,6,10,19,8,22,24,12,21,13,7,20,9,23,16/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCNCOCCNNCCOCCCONCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;s12;s13;s14;s15;s16;s13s17;s10;d19;s19;s7s21;d22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15BrN4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.83368
Area:529.517
Solvation:-4.40425
Coulombic:-65.3942
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:395.208
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.7
LogP (Chemaxon):0.49

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