3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Compound characteristics
Compound ID: | J079-0832 |
Compound Name: | 3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile |
Molecular Weight: | 387.48 |
Molecular Formula: | C24 H25 N3 O2 |
Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1cccc(C#N)c1)=CC(=O)O2 |
Stereo: | ACHIRAL |
logP: | 3.0456 |
logD: | 2.9596 |
logSw: | -3.4051 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.975 |
InChI Key: | UVKMGZGGQRPFRQ-UHFFFAOYSA-N |