tert-butyl [(6-{3-[4-chloro-3-(trifluoromethyl)anilino]-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-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(6-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0388 |
| Compound Name: | tert-butyl [(6-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 526.95 |
| Molecular Formula: | C23 H26 Cl F3 N6 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(c(c2)C(F)(F)F)[Cl])=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.5804 |
| logD: | 4.5135 |
| logSw: | -4.7857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.12 |
| InChI Key: | KMRYFDLRTCIHHE-UHFFFAOYSA-N |