4-oxo-2-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-oxo-2-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
4-oxo-2-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0394 |
| Compound Name: | 4-oxo-2-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | C(CNC(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O)Cn1cccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2213 |
| logD: | 0.8649 |
| logSw: | -1.9103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.221 |
| InChI Key: | RHTHZRYFZTYORV-QGZVFWFLSA-N |