N-tert-butyl-N'-(4-{[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)urea
Chemical Structure Depiction of
N-tert-butyl-N'-(4-{[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)urea
N-tert-butyl-N'-(4-{[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)urea
Compound characteristics
| Compound ID: | V024-9945 |
| Compound Name: | N-tert-butyl-N'-(4-{[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)urea |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C25 H35 N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(NC1CCC(CC1)NC(NC(C)(C)C)=O)nc(C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3169 |
| logD: | 4.2278 |
| logSw: | -4.4995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.378 |
| InChI Key: | XJCKVHXVCVRFFM-UHFFFAOYSA-N |