rel-(5R,8S)-2-methyl-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-2-methyl-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-2-methyl-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0349 |
| Compound Name: | rel-(5R,8S)-2-methyl-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C19 H22 N4 O |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(NCCc2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1708 |
| logD: | 2.1708 |
| logSw: | -2.5465 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.502 |
| InChI Key: | JXQHFTFAPYDZEY-QAPCUYQASA-N |