9-nitro-3-[(thiophen-2-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
9-nitro-3-[(thiophen-2-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
9-nitro-3-[(thiophen-2-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8136 |
| Compound Name: | 9-nitro-3-[(thiophen-2-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | C(C(N1C[C@H]2C[C@H](C1)C1=CC=C(C(N1C2)=O)[N+]([O-])=O)=O)c1cccs1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2369 |
| logD: | 2.2369 |
| logSw: | -2.3912 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.907 |
| InChI Key: | IFMJMHCQDNKBOR-NWDGAFQWSA-N |