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Chemical ID: 4636116
Chemical ID:
4636116
Name [?]:
5-(3-imidazol-1-ylpropylaminomethylene)-1-(1-naphthyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1ccc2c(c1)cccc2N3C(=O)C(=CNCCCn4ccnc4)C(=O)NC3=O
InChi [?]:
InChI=1/C21H19N5O3/c27-19-17(13-22-9-4-11-25-12-10-23-14-25)20(28)26(21(29)24-19)18-8-3-6-15-5-1-2-7-16(15)18/h1-3,5-8,10,12-14,22H,4,9,11H2,(H,24,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,8,18,6,7,3,9,17,22,19,21,15,24,5,4,14,10,25,12,28,16,23,27,20,11,26,13,29/rA:29nCCCCCCCCCCNCOCCNCCCNCCNCCONCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;w14;s15;s16;s17;s18;s19;s20;d21;s22;s20d23;s14;d25;s25;s11s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N5O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7668 |
Area: | 609.941 |
Solvation: | -4.48171 |
Coulombic: | -69.7438 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.407 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.1 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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