methyl 4-[2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E960-1362 |
| Compound Name: | methyl 4-[2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C23 H23 N5 O4 S2 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0009 |
| logD: | 3.0008 |
| logSw: | -3.2323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.78 |
| InChI Key: | KVJGKOYEARFGDU-UHFFFAOYSA-N |