N-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V015-3079 |
| Compound Name: | N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 538.48 |
| Molecular Formula: | C27 H29 Cl2 N7 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5114 |
| logD: | 6.0677 |
| logSw: | -6.1829 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.876 |
| InChI Key: | HCHFYNGOWWUNAJ-UHFFFAOYSA-N |