N-tert-butyl-N'-(2-{[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea
Chemical Structure Depiction of
N-tert-butyl-N'-(2-{[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea
N-tert-butyl-N'-(2-{[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea
Compound characteristics
| Compound ID: | V026-9620 |
| Compound Name: | N-tert-butyl-N'-(2-{[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea |
| Molecular Weight: | 427.94 |
| Molecular Formula: | C21 H26 Cl N7 O |
| Smiles: | CC(C)(C)NC(NCCNc1c2cnn(c3cccc(c3)[Cl])c2nc(C2CC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4866 |
| logD: | 4.1516 |
| logSw: | -4.4746 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.36 |
| InChI Key: | TWUSTIUXJMVITP-UHFFFAOYSA-N |