tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)amino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Chemical Structure Depiction of
tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)amino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)amino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0537 |
| Compound Name: | tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)amino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C28 H41 N7 O3 S |
| Smiles: | Cc1c(CCC(NCC2CCN(CC2)CCc2cccs2)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.3712 |
| logD: | 1.4119 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.171 |
| InChI Key: | YKSCJSOIWBECEE-UHFFFAOYSA-N |