N-methyl-4-oxo-2-phenyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-methyl-4-oxo-2-phenyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-methyl-4-oxo-2-phenyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0431 |
| Compound Name: | N-methyl-4-oxo-2-phenyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | Cc1c(CCN(C)C(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8932 |
| logD: | 1.5369 |
| logSw: | -2.4155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.161 |
| InChI Key: | MJWVCQNLMVVYKJ-LJQANCHMSA-N |