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Chemical ID: 4223093
Chemical ID:
4223093
Name [?]:
ethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOc1ccccc1C2C(=C(N(C(=O)N2)C)C)C(=O)OCC
InChi [?]:
InChI=1/C17H22N2O4/c1-5-22-13-10-8-7-9-12(13)15-14(16(20)23-6-2)11(3)19(4)17(21)18-15/h7-10,15H,5-6H2,1-4H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,18,17,2,22,7,6,8,5,12,9,4,11,10,19,14,16,13,20,15,3,21/rA:23cCCOCCCCCCCCCNCONCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;d14;s10s14;s13;s12;s11;d19;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.43599 |
Area: | 507.716 |
Solvation: | -3.2569 |
Coulombic: | -57.4704 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.82 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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