Chemical ID: 5276336

Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)N4CCCCCC4)C(=O)NC2=O
Chemical ID:
5276336
Name [?]:
5-[(4-azepan-1-ylphenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)N4CCCCCC4)C(=O)NC2=O
InChi [?]:
InChI=1/C24H25N3O3/c1-17-8-4-5-9-21(17)27-23(29)20(22(28)25-24(27)30)16-18-10-12-19(13-11-18)26-14-6-2-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,28,30)
InChi Info:
AuxInfo=1/1/N:1,22,23,4,5,21,24,3,6,14,18,15,17,20,25,12,2,13,16,11,7,26,9,29,28,19,8,27,10,30/E:(2,3)(6,7)(10,11)(12,13)(14,15)/rA:30nCCCCCCCNCOCCCCCCCCNCCCCCCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s23;s19s24;s11;d26;s26;s8s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3818
Area:600.707
Solvation:-3.63592
Coulombic:-55.3259
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:403.474
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.06
LogP (Chemaxon):4.33

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Descriptor Annotations

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