3-[(4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{4-[chloro(difluoro)methoxy]anilino}-1,3,5-triazin-2-yl)amino]propan-1-ol
Chemical Structure Depiction of
3-[(4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{4-[chloro(difluoro)methoxy]anilino}-1,3,5-triazin-2-yl)amino]propan-1-ol
3-[(4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{4-[chloro(difluoro)methoxy]anilino}-1,3,5-triazin-2-yl)amino]propan-1-ol
Compound characteristics
| Compound ID: | 8012-9367 |
| Compound Name: | 3-[(4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{4-[chloro(difluoro)methoxy]anilino}-1,3,5-triazin-2-yl)amino]propan-1-ol |
| Molecular Weight: | 564.08 |
| Molecular Formula: | C27 H36 Cl F2 N7 O2 |
| Smiles: | C(CNc1nc(Nc2ccc(cc2)OC(F)(F)[Cl])nc(n1)N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)CO |
| Stereo: | ACHIRAL |
| logP: | 6.6606 |
| logD: | 6.4159 |
| logSw: | -6.4938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.118 |
| InChI Key: | YFUYMLLGLJOELK-UHFFFAOYSA-N |