ChemDB: Chemical Search
Download
Chemical ID: 5633264
Chemical ID:
5633264
Name [?]:
5-[(4-diethylaminophenyl)methylene]-1,3-bis(2-methoxyphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=O)N(C2=O)c3ccccc3OC)c4ccccc4OC
InChi [?]:
InChI=1/C29H29N3O5/c1-5-30(6-2)21-17-15-20(16-18-21)19-22-27(33)31(23-11-7-9-13-25(23)36-3)29(35)32(28(22)34)24-12-8-10-14-26(24)37-4/h7-19H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,29,37,2,4,24,32,25,33,23,31,26,34,8,10,7,11,12,9,6,13,22,30,27,35,20,14,17,3,19,16,21,15,18,28,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(23,24)(25,26)(27,28)(31,32)(33,34)(36,37)/rA:37nCCNCCCCCCCCCCCONCONCOCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s14;s16;d17;s17;s13s19;d20;s19;s22;d23;s24;d25;d22s26;s27;s28;s16;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29N3O5 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7843 |
Area: | 726.356 |
Solvation: | -6.37465 |
Coulombic: | -66.0969 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 499.558 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|