N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9577 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C35 H32 F N3 O2 S |
| Smiles: | C(CNC(c1ccc(\C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)cc1)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 6.5341 |
| logD: | 5.3843 |
| logSw: | -6.0355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.969 |
| InChI Key: | USZLHPFXKRZXHI-UHFFFAOYSA-N |