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
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
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: | SB25-0388 |
| Compound Name: | 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: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | Cc1c(CCNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.432 |
| logD: | 1.0756 |
| logSw: | -2.054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.287 |
| InChI Key: | WFKJIDOZIRXWMF-GOSISDBHSA-N |