N-benzyl-1-[(2-hydroxyethyl)sulfanyl]-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(2-hydroxyethyl)sulfanyl]-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-benzyl-1-[(2-hydroxyethyl)sulfanyl]-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
Compound ID: | 8012-7001 |
Compound Name: | N-benzyl-1-[(2-hydroxyethyl)sulfanyl]-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
Molecular Weight: | 417.48 |
Molecular Formula: | C24 H19 N O4 S |
Smiles: | C(c1ccccc1)NC(c1ccc2C(c3ccccc3C(c2c1SCCO)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0944 |
logD: | 4.0942 |
logSw: | -4.4403 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.249 |
InChI Key: | IFXRUYUQYOSZMX-UHFFFAOYSA-N |