(3S)-3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Chemical Structure Depiction of
(3S)-3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
(3S)-3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Compound characteristics
Compound ID: | J100-0219 |
Compound Name: | (3S)-3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
Molecular Weight: | 436.47 |
Molecular Formula: | C23 H24 N4 O5 |
Smiles: | C(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)[C@H]1C(Nc2ccccc2C(N1)=O)=O |
Stereo: | ABSOLUTE |
logP: | 1.1281 |
logD: | 0.7838 |
logSw: | -2.4752 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.999 |
InChI Key: | IHPDRTQKKAPSEM-SFHVURJKSA-N |