N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-3-methoxybenzamide
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V025-5975 |
| Compound Name: | N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-3-methoxybenzamide |
| Molecular Weight: | 450.93 |
| Molecular Formula: | C23 H23 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNC(c3cccc(c3)OC)=O)nc(C)nc2n(c2cccc(c2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6754 |
| logD: | 3.5537 |
| logSw: | -4.2359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.988 |
| InChI Key: | JUBYUESWGDJAEX-UHFFFAOYSA-N |