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Chemical ID: 5823603
Chemical ID:
5823603
Name [?]:
5-[[2-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCc1cc(cc(c1)OCCOc2ccccc2C=C3C(=O)NC(=O)N(C3=O)c4cccc(c4)C)C
InChi [?]:
InChI=1/C29H28N2O5/c1-4-21-14-20(3)16-24(17-21)35-12-13-36-26-11-6-5-9-22(26)18-25-27(32)30-29(34)31(28(25)33)23-10-7-8-19(2)15-23/h5-11,14-18H,4,12-13H2,1-3H3,(H,30,32,34)
InChi Info:
AuxInfo=1/1/N:1,35,36,2,16,15,31,32,17,30,14,10,11,4,34,6,8,19,33,5,3,18,29,7,20,13,21,27,24,23,26,22,28,25,9,12/rA:36nCCCCCCCCOCCOCCCCCCCCCONCONCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;w19;s20;d21;s21;s23;d24;s24;s20s26;d27;s26;s29;d30;s31;d32;d29s33;s33;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H28N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5958 |
Area: | 747.953 |
Solvation: | -6.103 |
Coulombic: | -64.3627 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 484.543 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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