6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-1265 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C23 H25 N3 O5 S2 |
| Smiles: | C(CN1C(=O)Sc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8644 |
| logD: | 2.8644 |
| logSw: | -3.4735 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.464 |
| InChI Key: | PPARRGXPYUXJSW-UHFFFAOYSA-N |