rel-(5R,8S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0562 |
| Compound Name: | rel-(5R,8S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C24 H24 N4 O2 |
| Smiles: | COc1ccc(CNC(N2[C@H]3CC[C@@H]2c2cnc(c4ccccc4)nc2C3)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 3.5719 |
| logD: | 3.5719 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.32 |
| InChI Key: | VFHIHZQOAFUHMQ-GCJKJVERSA-N |