(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0248 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C18 H17 N3 O3 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5682 |
| logD: | 1.5682 |
| logSw: | -1.8772 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.633 |
| InChI Key: | NWPJMPQCZXFILM-DOMZBBRYSA-N |