N-[(4-methoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(4-methoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0442 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | COc1ccc(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6082 |
| logD: | 2.2519 |
| logSw: | -2.9939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.15 |
| InChI Key: | YQPKFGBUKMWVQW-GOSISDBHSA-N |