2-(4-fluorophenyl)-N-[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1066 |
| Compound Name: | 2-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C26 H25 F N4 O2 |
| Smiles: | C1CC2=C(CCC1C(NCCc1c[nH]c3ccccc13)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2847 |
| logD: | 2.2033 |
| logSw: | -3.2833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.318 |
| InChI Key: | CIKFUYVEBIDKFC-QGZVFWFLSA-N |