N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-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}-1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
Compound characteristics
| Compound ID: | SC87-0684 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C26 H31 F N4 O3 |
| Smiles: | Cc1cc(C(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0424 |
| logD: | 1.961 |
| logSw: | -3.4088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.12 |
| InChI Key: | GAWBAUREJKXWHQ-GOSISDBHSA-N |