2-(4-fluorophenyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0898 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C22 H28 F N3 O3 |
| Smiles: | CC(C)OCCCNC(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1663 |
| logD: | 1.0849 |
| logSw: | -2.7977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.92 |
| InChI Key: | JIGDMEPHXSPTEN-MRXNPFEDSA-N |