1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide--hydrogen chloride (1/1)
1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S896-0403 |
| Compound Name: | 1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 408.85 |
| Molecular Formula: | C17 H23 F3 N4 O2 |
| Salt: | HCl |
| Smiles: | Cc1nc2CCOCCc2c(n1)N1CCC(CC1)C(NCC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9357 |
| logD: | 1.9214 |
| logSw: | -2.1836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.154 |
| InChI Key: | USDJADBVGPCBRU-UHFFFAOYSA-N |