4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-(3-ethoxypropyl)benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-(3-ethoxypropyl)benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-(3-ethoxypropyl)benzamide
Compound characteristics
| Compound ID: | K788-9023 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-(3-ethoxypropyl)benzamide |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C28 H27 Cl N2 O3 S |
| Smiles: | CCOCCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7932 |
| logD: | 5.7932 |
| logSw: | -5.8757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.573 |
| InChI Key: | UMFIHMXVSLWEBK-UHFFFAOYSA-N |