3-[(4-chlorophenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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-chlorophenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(4-chlorophenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K784-8696 |
| Compound Name: | 3-[(4-chlorophenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 642.16 |
| Molecular Formula: | C35 H36 Cl N5 O5 |
| Smiles: | COc1ccc(CCNC(c2ccc(c(c2)NC(Nc2ccc(cc2)[Cl])=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.407 |
| logD: | 5.4062 |
| logSw: | -6.0069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.21 |
| InChI Key: | UZWHCXJRQYLLTB-UHFFFAOYSA-N |