2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | L387-5986 |
| Compound Name: | 2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(=N2)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.086 |
| logD: | 3.086 |
| logSw: | -3.3253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.126 |
| InChI Key: | BPJUDJILSWMYAK-UHFFFAOYSA-N |