4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V030-5111 |
| Compound Name: | 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C30 H35 F N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3678 |
| logD: | 5.6773 |
| logSw: | -5.9746 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.736 |
| InChI Key: | WTGOTEKUNOIJHQ-UHFFFAOYSA-N |