2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1120 |
| Compound Name: | 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C23 H30 F N5 O2 |
| Smiles: | CN1CCN(CCNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9856 |
| logD: | 0.9856 |
| logSw: | -2.0754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.907 |
| InChI Key: | AIFHHQNQZTYKQE-QGZVFWFLSA-N |