N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methylthiophene-2-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | SC87-1173 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | Cc1ccc(C(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7698 |
| logD: | 2.6884 |
| logSw: | -4.0181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.625 |
| InChI Key: | KJTMNORBUQBHKY-AWEZNQCLSA-N |