Chemical ID: 5633264

CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=O)N(C2=O)c3ccccc3OC)c4ccccc4OC
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

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Descriptor Annotations

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