tert-butyl [(6-{3-[({1-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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: | C908-0539 |
| Compound Name: | tert-butyl [(6-{3-[({1-[(2,5-dimethylphenyl)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: | 563.74 |
| Molecular Formula: | C31 H45 N7 O3 |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4012 |
| logD: | 2.1239 |
| logSw: | -4.2782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.174 |
| InChI Key: | HDKSKDYBNKVHJC-UHFFFAOYSA-N |