3-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-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-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | E204-0203 |
| Compound Name: | 3-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1C[C@@H]2C[C@H](CN3C2=CC=CC3=O)C1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0299 |
| logD: | 2.0299 |
| logSw: | -2.6324 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.652 |
| InChI Key: | ROOLGNNUCBLMHD-UHFFFAOYSA-N |