4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K788-9011 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide |
| Molecular Weight: | 568.14 |
| Molecular Formula: | C33 H30 Cl N3 O2 S |
| Smiles: | CN(CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6457 |
| logD: | 6.6408 |
| logSw: | -6.1987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.529 |
| InChI Key: | JJIBTAALTISLKS-UHFFFAOYSA-N |