2-(4-fluorophenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1101 |
| Compound Name: | 2-(4-fluorophenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-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: | Cc1ccc2c(c1)nc(CNC(C1CCC3=C(CC1)N=C(c1ccc(cc1)F)NC3=O)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1965 |
| logD: | 2.1151 |
| logSw: | -3.2276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.888 |
| InChI Key: | GIALNUWDUBTJRG-MRXNPFEDSA-N |