tert-butyl {[6-(3-{[(4-fluorophenyl)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-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
tert-butyl {[6-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Compound characteristics
| Compound ID: | C908-0541 |
| Compound Name: | tert-butyl {[6-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H29 F N6 O3 |
| Smiles: | Cc1c(CCC(NCc2ccc(cc2)F)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.7025 |
| logD: | 2.7022 |
| logSw: | -3.0689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.442 |
| InChI Key: | QDZITAAITYDGQJ-UHFFFAOYSA-N |