Chemical Name - ethyl6-methyl-2-oxo-4-o-tolyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Mol Weight - 274.319
Smiles - CCOC(C(C(c1c(C)cccc1)N1)=C(C)NC1=O)=O
Mol Weight - 274.319
Smiles - CCOC(C(C(c1c(C)cccc1)N1)=C(C)NC1=O)=O
| Property Value | |
| Mol Name | ethyl6-methyl-2-oxo-4-o-tolyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molweight | 274.319 |
| Monoisotopic Mass | 274.131743 |
| Clogp | 2.0523 |
| Clogs | -2.991 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 214.14 |
| Relative Psa | 0.27552 |
| Polar Surface Area | 67.43 |
| Druglikeness | -0.82595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.4061 |
| Molecular Complexity | 0.82494 |
| Fragments | 1 |
| Non H Atoms | 20 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Amides | 2 |
| Smiles | CCOC(C(C(c1c(C)cccc1)N1)=C(C)NC1=O)=O |
| InChIKey | InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-8-6-5-7-9(11)2/h5-8,13H,4H2,1-3H3,(H2,16,17,19) |
| InChI | YGIUDLHRMXTMBT-UHFFFAOYSA-N |
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