N-{3-[benzyl(methyl)amino]propyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
N-{3-[benzyl(methyl)amino]propyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-3002 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CN(CCCNC(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9359 |
| logD: | 2.4947 |
| logSw: | -3.9875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.193 |
| InChI Key: | XACKZTWFVIZWIF-UHFFFAOYSA-N |