2-(4-fluorophenyl)-4-oxo-N-[(thiophen-3-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-[(thiophen-3-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-[(thiophen-3-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1074 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-[(thiophen-3-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C21 H20 F N3 O2 S |
| Smiles: | C1CC2=C(CCC1C(NCc1ccsc1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5869 |
| logD: | 1.5055 |
| logSw: | -2.9632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.625 |
| InChI Key: | YIXNMBLQKYAVNX-HNNXBMFYSA-N |