4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-propylbenzamide
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-propylbenzamide
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | K788-8130 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-propylbenzamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C27 H26 N2 O2 S |
| Smiles: | CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0141 |
| logD: | 6.0141 |
| logSw: | -5.4748 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.596 |
| InChI Key: | PMKTWLVBOMYZKL-UHFFFAOYSA-N |