2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F813-2827 |
| Compound Name: | 2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | C1CCCN(CC1)c1nc2c(c(ncn2)SCC(Nc2ccc3c(c2)OCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5914 |
| logD: | 3.5914 |
| logSw: | -3.7025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.526 |
| InChI Key: | IURKEIYVERLHOZ-UHFFFAOYSA-N |