(2H-1,3-benzodioxol-5-yl){4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V027-8013 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 526.6 |
| Molecular Formula: | C29 H30 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C3CC3)nc2n(c2ccc(cc2)OC)n1)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5112 |
| logD: | 2.8742 |
| logSw: | -4.6255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.673 |
| InChI Key: | DHWJPUWOQNBONP-UHFFFAOYSA-N |