(1-ethyl-1H-pyrazol-3-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-3-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(1-ethyl-1H-pyrazol-3-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0561 |
| Compound Name: | (1-ethyl-1H-pyrazol-3-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C21 H21 N5 O |
| Smiles: | CCn1ccc(C(N2[C@H]3CC[C@@H]2c2cnc(c4ccccc4)nc2C3)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3926 |
| logD: | 2.3926 |
| logSw: | -2.5432 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.018 |
| InChI Key: | KFOAAUWZZFJZMS-BEFAXECRSA-N |