N-{3-[benzyl(butyl)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(butyl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(butyl)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: | C700-0499 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 617.86 |
| Molecular Formula: | C39 H43 N3 O2 S |
| Smiles: | CCCCN(CCCNC(c1ccc(\C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.5009 |
| logD: | 6.9383 |
| logSw: | -5.5336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.264 |
| InChI Key: | MHQHSNJIXDQJHD-UHFFFAOYSA-N |