6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L306-1265 |
| Compound Name: | 6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.463 |
| logD: | 4.463 |
| logSw: | -4.2772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.825 |
| InChI Key: | YJMZSPVFOISSHP-UHFFFAOYSA-N |