3-[(1H-imidazol-4-yl)methyl]-7,7,8a-trimethyl-5-sulfanylidenetetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one
Chemical Structure Depiction of
3-[(1H-imidazol-4-yl)methyl]-7,7,8a-trimethyl-5-sulfanylidenetetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one
3-[(1H-imidazol-4-yl)methyl]-7,7,8a-trimethyl-5-sulfanylidenetetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one
Compound characteristics
| Compound ID: | 8016-8984 |
| Compound Name: | 3-[(1H-imidazol-4-yl)methyl]-7,7,8a-trimethyl-5-sulfanylidenetetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one |
| Molecular Weight: | 294.37 |
| Molecular Formula: | C13 H18 N4 O2 S |
| Smiles: | CC1(C)CC2(C)N(C(Cc3c[nH]cn3)C(=O)O2)C(N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0459 |
| logD: | 0.404 |
| logSw: | -2.2206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | YJUPZZNUIFNOHY-UHFFFAOYSA-N |