2-methoxy-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-methoxy-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V021-3274 |
| Compound Name: | 2-methoxy-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9786 |
| logD: | 2.5348 |
| logSw: | -3.342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.921 |
| InChI Key: | JRWVRLFXQFASOZ-UHFFFAOYSA-N |