N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-(4-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-(4-methoxyphenyl)propanamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-(4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | SC87-0631 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-(4-methoxyphenyl)propanamide |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C26 H28 F N3 O3 |
| Smiles: | COc1ccc(CCC(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5515 |
| logD: | 2.4701 |
| logSw: | -3.7623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.937 |
| InChI Key: | MBIARJVEOULDKI-GOSISDBHSA-N |