rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0148 |
| Compound Name: | rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | C1C[C@@H]2c3cncnc3C[C@H]1N2C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5842 |
| logD: | 0.5842 |
| logSw: | -1.6106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.736 |
| InChI Key: | UQENMAUGIJVTBE-DOMZBBRYSA-N |