3-[(4-chlorophenyl)carbamamido]-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-chlorophenyl)carbamamido]-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-chlorophenyl)carbamamido]-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: | K784-8690 |
| Compound Name: | 3-[(4-chlorophenyl)carbamamido]-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: | 574.1 |
| Molecular Formula: | C30 H28 Cl N5 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1)[Cl])=O)C(NCc1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9314 |
| logD: | 5.9306 |
| logSw: | -6.3073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.126 |
| InChI Key: | JVLDGQHPNDOXBQ-UHFFFAOYSA-N |