N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0412 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1cc(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1351 |
| logD: | 0.7788 |
| logSw: | -2.1102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.41 |
| InChI Key: | CMEZOQHJMSAPCT-MRXNPFEDSA-N |