ethyl 4-(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}carbamamido)benzoate
ethyl 4-(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | Y043-6831 |
| Compound Name: | ethyl 4-(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(C)C[C@@H]1CCCN2CCCC[C@H]12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0044 |
| logD: | 1.1442 |
| logSw: | -3.3129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.314 |
| InChI Key: | QDWHWZNIGMLTCT-MJGOQNOKSA-N |