6-(cyclohexylmethyl)-1-(4-fluorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-(cyclohexylmethyl)-1-(4-fluorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
6-(cyclohexylmethyl)-1-(4-fluorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V030-5123 |
| Compound Name: | 6-(cyclohexylmethyl)-1-(4-fluorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 592.74 |
| Molecular Formula: | C31 H37 F N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5352 |
| logD: | 5.8448 |
| logSw: | -6.0434 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.28 |
| InChI Key: | HNWKHPMNSIHCMU-UHFFFAOYSA-N |