N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-6220 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)sc(n2)N1CCCCC1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2882 |
| logD: | 3.2882 |
| logSw: | -3.4958 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.842 |
| InChI Key: | AEYAVLARPJLTLZ-UHFFFAOYSA-N |