3-{[(4-ethylphenyl)carbamothioyl]amino}-N-[(4-methoxyphenyl)methyl]-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
3-{[(4-ethylphenyl)carbamothioyl]amino}-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-{[(4-ethylphenyl)carbamothioyl]amino}-N-[(4-methoxyphenyl)methyl]-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: | K784-4090 |
| Compound Name: | 3-{[(4-ethylphenyl)carbamothioyl]amino}-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 607.78 |
| Molecular Formula: | C35 H37 N5 O3 S |
| Smiles: | CCc1ccc(cc1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1ccc(cc1)OC)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6435 |
| logD: | 6.6434 |
| logSw: | -5.6063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.171 |
| InChI Key: | OJIWWXQMHVVXCQ-UHFFFAOYSA-N |