3-{[4-(2-methyl-2H-tetrazol-5-yl)phenoxy]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-{[4-(2-methyl-2H-tetrazol-5-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[4-(2-methyl-2H-tetrazol-5-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-4822 |
| Compound Name: | 3-{[4-(2-methyl-2H-tetrazol-5-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H22 N6 O3 |
| Smiles: | Cn1nc(c2ccc(cc2)OCC(N2C[C@@H]3C[C@H](C2)CN2C3=CC=CC2=O)=O)nn1 |
| Stereo: | ABSOLUTE |
| logP: | 1.388 |
| logD: | 1.388 |
| logSw: | -1.6813 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.694 |
| InChI Key: | KKKWBHSPPVMVLH-HOCLYGCPSA-N |