4-oxo-2-phenyl-N-[(thiophen-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-oxo-2-phenyl-N-[(thiophen-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
4-oxo-2-phenyl-N-[(thiophen-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0982 |
| Compound Name: | 4-oxo-2-phenyl-N-[(thiophen-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | C1CC2=C(CCC1C(NCc1cccs1)=O)N=C(c1ccccc1)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6008 |
| logD: | 2.2445 |
| logSw: | -2.9999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.625 |
| InChI Key: | KAJDPIXPJUZKJM-HNNXBMFYSA-N |