3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 8013-3892 |
Compound Name: | 3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 422.52 |
Molecular Formula: | C25 H30 N2 O4 |
Smiles: | COc1cccc2C=C(C(N3CCN(CC3)C34CC5CC(CC(C5)C4)C3)=O)C(=O)Oc12 |
Stereo: | ACHIRAL |
logP: | 3.9285 |
logD: | 3.8751 |
logSw: | -4.2443 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.075 |
InChI Key: | JZDRUCGULJGQAD-UHFFFAOYSA-N |