3-[(4-bromobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[(4-bromobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
3-[(4-bromobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K622-0443 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 639.59 |
| Molecular Formula: | C29 H27 Br N4 O4 S2 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(NCc1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4531 |
| logD: | 2.9429 |
| logSw: | -5.8088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.472 |
| InChI Key: | HSBQTYHPDUKREY-UHFFFAOYSA-N |