tert-butyl {[5,7-dimethyl-6-(3-{[(4-methylphenyl)methyl]amino}-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Chemical Structure Depiction of
tert-butyl {[5,7-dimethyl-6-(3-{[(4-methylphenyl)methyl]amino}-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
tert-butyl {[5,7-dimethyl-6-(3-{[(4-methylphenyl)methyl]amino}-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Compound characteristics
| Compound ID: | C908-0354 |
| Compound Name: | tert-butyl {[5,7-dimethyl-6-(3-{[(4-methylphenyl)methyl]amino}-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C24 H32 N6 O3 |
| Smiles: | Cc1ccc(CNC(CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0968 |
| logD: | 3.0966 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.442 |
| InChI Key: | QIFXHTCMECVGBN-UHFFFAOYSA-N |