methyl 2,3-didehydroaspidospermidine-3-carboxylate
Chemical Structure Depiction of
methyl 2,3-didehydroaspidospermidine-3-carboxylate
methyl 2,3-didehydroaspidospermidine-3-carboxylate
Compound characteristics
| Compound ID: | N039-0004 |
| Compound Name: | methyl 2,3-didehydroaspidospermidine-3-carboxylate |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H26 N2 O2 |
| Salt: | HI |
| Smiles: | CCC12CCCN3CCC4(C23)C(=C(C1)C(=O)OC)Nc1ccccc14 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4724 |
| logD: | 1.1717 |
| logSw: | -3.6671 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.26 |
| InChI Key: | GIGFIWJRTMBSRP-UHFFFAOYSA-N |