N-[4-(diethylamino)-2-methylphenyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
N-[4-(diethylamino)-2-methylphenyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Compound characteristics
Compound ID: | K978-0426 |
Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide |
Molecular Weight: | 395.5 |
Molecular Formula: | C23 H29 N3 O3 |
Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CCN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2615 |
logD: | 2.0522 |
logSw: | -2.8743 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.502 |
InChI Key: | IYFSRDXXTNKTTC-UHFFFAOYSA-N |