tert-butyl [(6-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Chemical Structure Depiction of
tert-butyl [(6-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(6-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0540 |
| Compound Name: | tert-butyl [(6-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 553.68 |
| Molecular Formula: | C29 H40 F N7 O3 |
| Smiles: | Cc1c(CCC(NCC2CCN(CC2)Cc2ccccc2F)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.4956 |
| logD: | 1.7062 |
| logSw: | -3.8287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.174 |
| InChI Key: | RVWLNEDHMIQMBP-UHFFFAOYSA-N |