methyl 4-(2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-2822 |
| Compound Name: | methyl 4-(2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c2c(ncn1)nc(N1CCCCCC1)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7096 |
| logD: | 4.7095 |
| logSw: | -4.2644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.877 |
| InChI Key: | XFNRAKBKXGFOJD-UHFFFAOYSA-N |