2-(4-fluorophenyl)-4-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0876 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C23 H26 F N5 O2 |
| Smiles: | Cc1c(CNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5065 |
| logD: | 0.4251 |
| logSw: | -2.1301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.446 |
| InChI Key: | XKCUYWZJXWTTNH-MRXNPFEDSA-N |