1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1286 |
| Compound Name: | 1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(N1CCOc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.755 |
| logD: | 2.755 |
| logSw: | -2.9492 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.195 |
| InChI Key: | ZRMYJTZKHFHWAV-UHFFFAOYSA-N |