3-acetyl-1-phenyl-4-(prop-2-en-1-yl)-1,3,3a,4,9,9a-hexahydro-2H-pyrrolo[2,3-b]quinoxalin-2-one
Chemical Structure Depiction of
3-acetyl-1-phenyl-4-(prop-2-en-1-yl)-1,3,3a,4,9,9a-hexahydro-2H-pyrrolo[2,3-b]quinoxalin-2-one
3-acetyl-1-phenyl-4-(prop-2-en-1-yl)-1,3,3a,4,9,9a-hexahydro-2H-pyrrolo[2,3-b]quinoxalin-2-one
Compound characteristics
| Compound ID: | 8016-0473 |
| Compound Name: | 3-acetyl-1-phenyl-4-(prop-2-en-1-yl)-1,3,3a,4,9,9a-hexahydro-2H-pyrrolo[2,3-b]quinoxalin-2-one |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | CC(C1C2C(Nc3ccccc3N2CC=C)N(C1=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7846 |
| logD: | -2.7614 |
| logSw: | -3.1665 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.592 |
| InChI Key: | DDDSBDPXUPSYNO-UHFFFAOYSA-N |