methyl 2-(2-{[2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-2362 |
| Compound Name: | methyl 2-(2-{[2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C19 H19 N5 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1c2c(ncn1)nc(N1CCCC1)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5443 |
| logD: | 3.5287 |
| logSw: | -3.741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.214 |
| InChI Key: | UCRGDGIFXGTICS-UHFFFAOYSA-N |