1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloropropan-1-one
Chemical Structure Depiction of
1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloropropan-1-one
1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloropropan-1-one
Compound characteristics
| Compound ID: | V005-5874 |
| Compound Name: | 1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloropropan-1-one |
| Molecular Weight: | 455 |
| Molecular Formula: | C24 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(C(C)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7531 |
| logD: | 4.2074 |
| logSw: | -4.7232 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.024 |
| InChI Key: | JOJPADAMRHINSN-KRWDZBQOSA-N |