N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0076 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 603.83 |
| Molecular Formula: | C38 H41 N3 O2 S |
| Smiles: | CC(C)N(CCCNC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.9554 |
| logD: | 6.0091 |
| logSw: | -5.5532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.922 |
| InChI Key: | WADWWPYMBDTOBC-UHFFFAOYSA-N |