tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{4-[(piperidin-1-yl)methyl]anilino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Chemical Structure Depiction of
tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{4-[(piperidin-1-yl)methyl]anilino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{4-[(piperidin-1-yl)methyl]anilino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Compound characteristics
| Compound ID: | C908-0472 |
| Compound Name: | tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{4-[(piperidin-1-yl)methyl]anilino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C28 H39 N7 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(CN3CCCCC3)cc2)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.422 |
| logD: | 1.8401 |
| logSw: | -3.6992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.852 |
| InChI Key: | OIVWNQWYNXOSBN-UHFFFAOYSA-N |