tert-butyl [(6-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)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-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(6-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0467 |
| Compound Name: | tert-butyl [(6-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 510.55 |
| Molecular Formula: | C25 H30 N6 O6 |
| Smiles: | CC(c1cc2c(cc1NC(CCc1c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c1C)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3989 |
| logD: | 2.2835 |
| logSw: | -2.9097 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.364 |
| InChI Key: | SOYDCXHILQTNIQ-UHFFFAOYSA-N |