Chemical ID: 5823603

CCc1cc(cc(c1)OCCOc2ccccc2C=C3C(=O)NC(=O)N(C3=O)c4cccc(c4)C)C
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

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Descriptor Annotations

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