Chemical ID: 4199628

COc1ccc(cc1)OCCOc2ccc(cc2OC)C=C3C(=O)NC(=O)NC3=O
Chemical ID:
4199628
Name [?]:
5-[[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccc(cc1)OCCOc2ccc(cc2OC)C=C3C(=O)NC(=O)NC3=O
InChi [?]:
InChI=1/C21H20N2O7/c1-27-14-4-6-15(7-5-14)29-9-10-30-17-8-3-13(12-18(17)28-2)11-16-19(24)22-21(26)23-20(16)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,20,15,4,8,5,7,14,10,11,21,17,16,3,6,22,13,18,23,29,26,25,28,24,30,27,2,19,9,12/E:(4,5)(6,7)(19,20)(22,23)(24,25)/rA:30nCOCCCCCCOCCOCCCCCCOCCCCONCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s22;d23;s23;s25;d26;s26;s22s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.12612
Area:634.665
Solvation:-9.74051
Coulombic:-78.6081
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.393
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.76
LogP (Chemaxon):1.55

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Descriptor Annotations

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