3-{[(3-bromo-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{[(3-bromo-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[(3-bromo-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y040-3115 |
| Compound Name: | 3-{[(3-bromo-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 485.33 |
| Molecular Formula: | C23 H21 Br N2 O5 |
| Smiles: | CC1=C(C(=O)Oc2cc(ccc12)OCC(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O)[Br] |
| Stereo: | ABSOLUTE |
| logP: | 2.7286 |
| logD: | 2.7286 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.479 |
| InChI Key: | KQAZJQXFNDOORW-UHFFFAOYSA-N |