N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzamide
Chemical Structure Depiction of
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzamide
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | V025-5939 |
| Compound Name: | N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzamide |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C22 H21 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNC(c3ccccc3)=O)nc(C)nc2n(c2cccc(c2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5082 |
| logD: | 3.3864 |
| logSw: | -4.0091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.445 |
| InChI Key: | VAXBUVNULUVMRA-UHFFFAOYSA-N |