N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V016-6659 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 518.06 |
| Molecular Formula: | C28 H32 Cl N7 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5638 |
| logD: | 6.12 |
| logSw: | -6.2 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.574 |
| InChI Key: | WOAUVCKLXAGWTJ-UHFFFAOYSA-N |