2-chloro-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
2-chloro-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
2-chloro-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | V001-9929 |
| Compound Name: | 2-chloro-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 440.98 |
| Molecular Formula: | C23 H29 Cl N6 O |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(C(C)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3639 |
| logD: | 3.9201 |
| logSw: | -4.4286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.024 |
| InChI Key: | MYYJRKUGVVQGNG-INIZCTEOSA-N |