N-[3-(1H-benzimidazol-2-yl)propyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[3-(1H-benzimidazol-2-yl)propyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[3-(1H-benzimidazol-2-yl)propyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0415 |
| Compound Name: | N-[3-(1H-benzimidazol-2-yl)propyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C26 H27 N5 O2 |
| Smiles: | C(Cc1nc2ccccc2[nH]1)CNC(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0095 |
| logD: | 2.6532 |
| logSw: | -3.3233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.729 |
| InChI Key: | NEWFOCHZAJQUDL-GOSISDBHSA-N |