ethyl 1-{3-[(4-acetamidobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(4-acetamidobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl}piperidine-4-carboxylate
ethyl 1-{3-[(4-acetamidobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K622-0209 |
| Compound Name: | ethyl 1-{3-[(4-acetamidobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 661.78 |
| Molecular Formula: | C34 H39 N5 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(c(c1)NS(c1ccc(cc1)NC(C)=O)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0891 |
| logD: | 2.4705 |
| logSw: | -3.5403 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.705 |
| InChI Key: | DSTCENLOVPXIPM-UHFFFAOYSA-N |