N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0397 |
| Compound Name: | N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C25 H25 N5 O2 |
| Smiles: | Cc1ccc2c(c1)nc(CNC(C1CCC3=C(CC1)N=C(c1ccccc1)NC3=O)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0624 |
| logD: | 2.706 |
| logSw: | -3.3019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.888 |
| InChI Key: | DOHLXRNAGLETDC-QGZVFWFLSA-N |