1-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrrole-3-carboxamide
Chemical Structure Depiction of
1-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrrole-3-carboxamide
1-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrrole-3-carboxamide
Compound characteristics
| Compound ID: | SC87-0553 |
| Compound Name: | 1-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrrole-3-carboxamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | Cc1cc(C(NCC2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9083 |
| logD: | 2.5519 |
| logSw: | -3.574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.12 |
| InChI Key: | YXCSVQYSXHUZOE-LJQANCHMSA-N |