2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | F813-2826 |
| Compound Name: | 2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C20 H21 N5 O3 S2 |
| Smiles: | C1CCCN(CC1)c1nc2c(c(ncn2)SCC(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.452 |
| logD: | 4.4519 |
| logSw: | -4.2323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.818 |
| InChI Key: | JTQXOOKBLHQDOX-UHFFFAOYSA-N |