tert-butyl [(6-{3-[(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-[(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-[(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: | C908-0455 |
| Compound Name: | tert-butyl [(6-{3-[(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: | 468.51 |
| Molecular Formula: | C23 H28 N6 O5 |
| Smiles: | Cc1c(CCC(Nc2ccc3c(c2)OCO3)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.8063 |
| logD: | 2.8059 |
| logSw: | -3.4027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.235 |
| InChI Key: | SZQFJXFBBVZYRZ-UHFFFAOYSA-N |