3-{2-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S986-0476 |
| Compound Name: | 3-{2-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C21 H28 N4 O5 |
| Smiles: | CN(C)C[C@@]12CN(C[C@H]2CN(C1)C(COC)=O)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5371 |
| logD: | -3.7113 |
| logSw: | -1.4194 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.357 |
| InChI Key: | ORPUMRLPLDSJRI-VFNWGFHPSA-N |