{4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
{4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V024-6539 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 497.02 |
| Molecular Formula: | C24 H25 Cl N6 O2 S |
| Smiles: | Cc1c2c(nc(COC)nc2n(c2cccc(c2)[Cl])n1)N1CCCN(CC1)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3361 |
| logD: | 4.0967 |
| logSw: | -4.5994 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.195 |
| InChI Key: | CQBYRNSYQSBKPD-UHFFFAOYSA-N |