Chemical Name - ethyl4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Mol Weight - 339.188
Smiles - CCOC(C(C(c1cccc(Br)c1)N1)=C(C)NC1=O)=O
Mol Weight - 339.188
Smiles - CCOC(C(C(c1cccc(Br)c1)N1)=C(C)NC1=O)=O
| Property Value | |
| Mol Name | ethyl4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molweight | 339.188 |
| Monoisotopic Mass | 338.026604 |
| Clogp | 2.4336 |
| Clogs | -3.481 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 220.51 |
| Relative Psa | 0.26756 |
| Polar Surface Area | 67.43 |
| Druglikeness | -2.6159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.4061 |
| Molecular Complexity | 0.84784 |
| Fragments | 1 |
| Non H Atoms | 20 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Amides | 2 |
| Smiles | CCOC(C(C(c1cccc(Br)c1)N1)=C(C)NC1=O)=O |
| InChIKey | InChI=1S/C14H15BrN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-5-4-6-10(15)7-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19) |
| InChI | PDROXKNRSADMJN-UHFFFAOYSA-N |
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