N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C308-0653 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 551.68 |
| Molecular Formula: | C33 H30 F N3 O2 S |
| Smiles: | CN(CCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)F)c3ccccc3S2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8755 |
| logD: | 5.6692 |
| logSw: | -5.5586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.418 |
| InChI Key: | JDLPGVVICPZDDJ-UHFFFAOYSA-N |