N-(butan-2-yl)-3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(butan-2-yl)-3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-9519 |
| Compound Name: | N-(butan-2-yl)-3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 555.1 |
| Molecular Formula: | C28 H31 Cl N4 O4 S |
| Smiles: | CCC(C)NC(c1ccc(c(c1)NS(c1cccc(c1)[Cl])(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4222 |
| logD: | 2.33 |
| logSw: | -4.5567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.167 |
| InChI Key: | GOURRVLEUVTQFV-UHFFFAOYSA-N |