N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L862-0502 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | C=CCN1C(c2c(nc(N3CCCCC3)s2)N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4716 |
| logD: | 3.4716 |
| logSw: | -3.7057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.66 |
| InChI Key: | JDJXSLFJFOTTLF-UHFFFAOYSA-N |