2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-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-pyrazol-4-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1108 |
| Compound Name: | 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C21 H22 F N5 O2 |
| Smiles: | Cc1c(CNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)cn[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.745 |
| logD: | 0.6636 |
| logSw: | -2.1745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.874 |
| InChI Key: | OYPQKWBXRMQXLB-CQSZACIVSA-N |