N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB25-0892 |
| Compound Name: | N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 473.98 |
| Molecular Formula: | C24 H28 F N5 O2 |
| Salt: | HCl |
| Smiles: | CCn1c(C)c(CN(C)C(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2693 |
| logD: | 1.1879 |
| logSw: | -2.7261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.268 |
| InChI Key: | STOORSNVHMZCMD-KRWDZBQOSA-N |