6-benzyl-4-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-benzyl-4-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-benzyl-4-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V029-0343 |
| Compound Name: | 6-benzyl-4-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCS(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1683 |
| logD: | 4.0666 |
| logSw: | -4.3128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.71 |
| InChI Key: | NBYCSFOTXWPAIZ-UHFFFAOYSA-N |