N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1100 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C25 H24 F N5 O2 |
| Smiles: | C1CC2=C(CCC1C(NCCc1nc3ccccc3[nH]1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8112 |
| logD: | 1.7298 |
| logSw: | -3.3654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.729 |
| InChI Key: | AWLUJTAMKASEMD-MRXNPFEDSA-N |