Chemical ID: 7187723

Cc1cc(c(c(c1)C)N2C(=O)C(=CNCCCn3cc[nH+]c3)C(=O)NC2=O)C
Chemical ID:
7187723
Name [?]:
5-[3-(3H-imidazol-1-yl)propylaminomethylene]-1-(2,4,6-trimethylphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cc(c(c(c1)C)N2C(=O)C(=CNCCCn3cc[nH+]c3)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)/p+1
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:28nCCCCCCCCNCOCCNCCCNCCN+CCONCOC/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:C20H24N5O3+
All Atoms:52
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-21.774
Area:611.064
Solvation:-37.0506
Coulombic:-56.3441
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:382.436
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):1.34

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Descriptor Annotations

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