N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V011-1383 |
| Compound Name: | N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 490.01 |
| Molecular Formula: | C26 H28 Cl N7 O |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.132 |
| logD: | 6.066 |
| logSw: | -5.9737 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.221 |
| InChI Key: | HJMWYWAHXUCBOL-UHFFFAOYSA-N |