2-{[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
Chemical Structure Depiction of
2-{[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
2-{[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
Compound characteristics
| Compound ID: | V010-1637 |
| Compound Name: | 2-{[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C26 H30 N6 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)Cc1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 5.2616 |
| logD: | 5.1086 |
| logSw: | -4.9661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.032 |
| InChI Key: | BXLYZCGRZZGRRU-UHFFFAOYSA-N |