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Chemical ID: 4634468
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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