N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(diethylamino)-7-oxo-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-6037 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(=N2)SCC(NCc2ccc3c(c2)OCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7078 |
| logD: | 3.7078 |
| logSw: | -3.7911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.74 |
| InChI Key: | JMCLAGAAUGCCOQ-UHFFFAOYSA-N |