N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(morpholin-4-yl)propanamido]-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-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(morpholin-4-yl)propanamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(morpholin-4-yl)propanamido]-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: | K623-0286 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(morpholin-4-yl)propanamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 636.15 |
| Molecular Formula: | C33 H38 Cl N5 O6 |
| Smiles: | COc1cc(c(cc1NC(c1ccc(c(c1)NC(CCN1CCOCC1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6519 |
| logD: | 3.3056 |
| logSw: | -4.2166 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.814 |
| InChI Key: | YEUWYOGXBSRLSD-UHFFFAOYSA-N |