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Chemical ID: 7216652
Chemical ID:
7216652
Name [?]:
5-ethoxy-4-(3-methoxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidin-2-one
SMILES [?]:
CCOC1=C(N(C(=O)NC1c2cccc(c2)OC)C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-5-20-14-10(2)17(3)15(18)16-13(14)11-7-6-8-12(9-11)19-4/h6-9,13H,5H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,19,18,2,13,12,14,16,5,11,15,10,4,7,9,6,8,17,3/rA:20cCCOCCNCONCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;s6;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s6;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.64879 |
Area: | 464.531 |
Solvation: | -3.96449 |
Coulombic: | -45.3585 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.78 |
LogP (Chemaxon): | 0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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