2-(diethylamino)ethyl 4-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
2-(diethylamino)ethyl 4-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C066-2411 |
| Compound Name: | 2-(diethylamino)ethyl 4-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate |
| Molecular Weight: | 668.79 |
| Molecular Formula: | C30 H36 N8 O6 S2 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0047 |
| logD: | 2.0363 |
| logSw: | -3.2831 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.183 |
| InChI Key: | DLCYTHUXJWRPMH-UHFFFAOYSA-N |