3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-2011 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)SC(N2CCC(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6111 |
| logD: | 3.6111 |
| logSw: | -3.8415 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.921 |
| InChI Key: | OYUCKRFQQLZDBD-UHFFFAOYSA-N |