3-(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-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-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-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: | E470-1259 |
| Compound Name: | 3-(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2S1)S(N1CC2CC(C1)C1=CC=CC(N1C2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9281 |
| logD: | 2.9281 |
| logSw: | -3.3905 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.634 |
| InChI Key: | BJPOUOZYPRVHQS-UHFFFAOYSA-N |