(3-methylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(3-methylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(3-methylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0218 |
| Compound Name: | (3-methylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 293.37 |
| Molecular Formula: | C18 H19 N3 O |
| Smiles: | Cc1cccc(c1)C(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0169 |
| logD: | 2.0169 |
| logSw: | -2.4164 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.517 |
| InChI Key: | ZKRKBOYBZNMIFZ-PBHICJAKSA-N |