4-({4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
4-({4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0803 |
| Compound Name: | 4-({4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N1CCCc3ccccc13)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.148 |
| logD: | 3.0868 |
| logSw: | -3.5537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.976 |
| InChI Key: | BMSJJLASBAGHBT-UHFFFAOYSA-N |