N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(diethylamino)-7-oxo-6-(propan-2-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)-2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-1422 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(C(C)C)C(=N2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.15 |
| logD: | 4.15 |
| logSw: | -4.1092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.16 |
| InChI Key: | LROPZEJGZGXSDQ-UHFFFAOYSA-N |