methyl 2-(2-{[2-(dipropylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(dipropylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(dipropylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-4630 |
| Compound Name: | methyl 2-(2-{[2-(dipropylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CCCN(CCC)c1nc2c(c(ncn2)SCC(Nc2ccccc2C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6262 |
| logD: | 4.6107 |
| logSw: | -4.3904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.639 |
| InChI Key: | LVNCBPWVBOLGPE-UHFFFAOYSA-N |