N-[(5-methylfuran-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(5-methylfuran-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0971 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | Cc1ccc(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6833 |
| logD: | 2.327 |
| logSw: | -3.0323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.869 |
| InChI Key: | XBODMGNERJZUDY-MRXNPFEDSA-N |