methyl 4-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L387-6215 |
| Compound Name: | methyl 4-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4064 |
| logD: | 4.4064 |
| logSw: | -4.1492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.193 |
| InChI Key: | BTYZBDKBYDWGTM-UHFFFAOYSA-N |