N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1118 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C25 H26 F N3 O3 |
| Smiles: | CCOc1ccc(CNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1289 |
| logD: | 2.0475 |
| logSw: | -3.1679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.73 |
| InChI Key: | OYFJBAWIZPTIKR-GOSISDBHSA-N |