4-({4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
4-({4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | J079-0930 |
Compound Name: | 4-({4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one |
Molecular Weight: | 431.53 |
Molecular Formula: | C26 H29 N3 O3 |
Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N1CCc3ccccc13)=O)=CC(=O)O2 |
Stereo: | ACHIRAL |
logP: | 2.813 |
logD: | 2.7518 |
logSw: | -3.4267 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 43.342 |
InChI Key: | HESWGNNFELAVPY-UHFFFAOYSA-N |