2-[(benzenesulfonyl)methyl]-6-hydroxy-1,4-dimethyl-7-(pyridin-3-yl)-4,5-dihydropyrrolo[4,3,2-de]isoquinolin-3(1H)-one
Chemical Structure Depiction of
2-[(benzenesulfonyl)methyl]-6-hydroxy-1,4-dimethyl-7-(pyridin-3-yl)-4,5-dihydropyrrolo[4,3,2-de]isoquinolin-3(1H)-one
2-[(benzenesulfonyl)methyl]-6-hydroxy-1,4-dimethyl-7-(pyridin-3-yl)-4,5-dihydropyrrolo[4,3,2-de]isoquinolin-3(1H)-one
Compound characteristics
| Compound ID: | H027-0084 |
| Compound Name: | 2-[(benzenesulfonyl)methyl]-6-hydroxy-1,4-dimethyl-7-(pyridin-3-yl)-4,5-dihydropyrrolo[4,3,2-de]isoquinolin-3(1H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CN1Cc2c(c(cc3c2c(C1=O)c(CS(c1ccccc1)(=O)=O)n3C)c1cccnc1)O |
| Stereo: | ACHIRAL |
| logP: | 2.1169 |
| logD: | 2.1093 |
| logSw: | -2.9779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.788 |
| InChI Key: | YOPWOUBSCDDNIA-UHFFFAOYSA-N |