N-(5-chloro-2-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | K623-0748 |
Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 590.12 |
Molecular Formula: | C32 H36 Cl N5 O4 |
Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(CCN1CCOCC1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8102 |
logD: | 3.7541 |
logSw: | -4.3964 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.553 |
InChI Key: | LWKDDPRYKHCHRP-UHFFFAOYSA-N |