Chemical ID: 5653607

c1ccc2c(c1)cccc2N3C(=O)C(=CNCCCn4ccnc4)C(=NC3=O)O
Chemical ID:
5653607
Name [?]:
6-hydroxy-5-(3-imidazol-1-ylpropylaminomethylene)-3-(1-naphthyl)pyrimidine-2,4-dione
SMILES [?]:
c1ccc2c(c1)cccc2N3C(=O)C(=CNCCCn4ccnc4)C(=NC3=O)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:1,2,8,18,6,7,3,9,17,22,19,21,15,24,5,4,14,10,25,12,27,16,23,26,20,11,29,13,28/rA:29nCCCCCCCCCCNCOCCNCCCNCCNCCNCOO/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;s11s26;d27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0379
Area:612.666
Solvation:-4.27872
Coulombic:-73.0328
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:2.08
LogP (Chemaxon):1.18

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Descriptor Annotations

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