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Chemical ID: 4632690
Chemical ID:
4632690
Name [?]:
1-(2-methoxyphenyl)-5-(2-morpholinoethylaminomethylene)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccccc1N2C(=O)C(=CNCCN3CCOCC3)C(=O)NC2=O
InChi [?]:
InChI=1/C18H22N4O5/c1-26-15-5-3-2-4-14(15)22-17(24)13(16(23)20-18(22)25)12-19-6-7-21-8-10-27-11-9-21/h2-5,12,19H,6-11H2,1H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,15,16,18,22,19,21,13,12,8,3,23,10,26,14,25,17,9,24,11,27,2,20/E:(8,9)(10,11)/rA:27nCOCCCCCCNCOCCNCCNCCOCCCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s12;d23;s23;s9s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N4O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81339 |
Area: | 584.038 |
Solvation: | -5.78757 |
Coulombic: | -79.2088 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | -0.21 |
LogP (Chemaxon): | -1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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