N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1017 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | CCn1cc(CN(C)C(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.014 |
| logD: | 1.6576 |
| logSw: | -2.5319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.198 |
| InChI Key: | KGQMJESTQWUHSR-GOSISDBHSA-N |