2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y502-4647 |
| Compound Name: | 2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C25 H23 N5 O2 S2 |
| Smiles: | CCn1cc(\C=C2/C(N3C(C(=C(C)N=C3S2)C(Nc2ccccc2C)=O)c2cccs2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3456 |
| logD: | 3.3439 |
| logSw: | -3.3749 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.907 |
| InChI Key: | IDGCIIXXQKKKCP-JOCHJYFZSA-N |