N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SD54-0038 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | COc1ccc(c(CNC(C2CCc3c(CC2)nc(c2ccccc2)nc3OC)=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9471 |
| logD: | 4.947 |
| logSw: | -4.6913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.179 |
| InChI Key: | PQZNXUKYHNIEOH-SFHVURJKSA-N |