N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9318 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 624.25 |
| Molecular Formula: | C37 H38 Cl N3 O2 S |
| Smiles: | CCCCN(CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.1103 |
| logD: | 6.5477 |
| logSw: | -6.2833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.264 |
| InChI Key: | NGUWPIKHTGRVKC-UHFFFAOYSA-N |