4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]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-[(propan-2-yl)oxy]propyl}benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Compound characteristics
| Compound ID: | K788-9025 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide |
| Molecular Weight: | 521.08 |
| Molecular Formula: | C29 H29 Cl N2 O3 S |
| Smiles: | CC(C)OCCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9635 |
| logD: | 5.9635 |
| logSw: | -6.0447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.797 |
| InChI Key: | VJWDQQUNGYRUAN-UHFFFAOYSA-N |