Chemical ID: 4635384

Cc1cc(c(c(c1)C)N2C(=O)C(=CNCCCn3ccnc3)C(=O)NC2=O)C
Chemical ID:
4635384
Name [?]:
5-(3-imidazol-1-ylpropylaminomethylene)-1-(2,4,6-trimethylphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cc(c(c(c1)C)N2C(=O)C(=CNCCCn3ccnc3)C(=O)NC2=O)C
InChi [?]:
InChI=1/C20H23N5O3/c1-13-9-14(2)17(15(3)10-13)25-19(27)16(18(26)23-20(25)28)11-21-5-4-7-24-8-6-22-12-24/h6,8-12,21H,4-5,7H2,1-3H3,(H,23,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,28,16,15,20,17,19,7,3,13,22,2,6,4,12,5,23,10,26,14,21,25,18,9,24,11,27/E:(2,3)(9,10)(14,15)/rA:28nCCCCCCCCNCOCCNCCCNCCNCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;s15;s16;s17;s18;d19;s20;s18d21;s12;d23;s23;s9s25;d26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N5O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9942
Area:610.575
Solvation:-4.27016
Coulombic:-68.4754
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:381.429
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):1.34

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Descriptor Annotations

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