(1RS)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1RS)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1RS)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-6296 |
| Compound Name: | (1RS)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | C1CC2[C@H]3C[C@H](CN(C3)C(CC3c4ccccc4C(NN=3)=O)=O)CN2C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7593 |
| logD: | 0.7592 |
| logSw: | -2.0826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.887 |
| InChI Key: | WCBWUSAKHBJTHP-QPKCZYJBSA-N |